Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C6H13NO
Datos Químicos de C6H13NO
ID
11563
Molecular Scaffold
eO`BNZ`@
Molecular Formula
C6H13NO
Elemental Composition %
C: 28.5714285714286%
H: 61.9047619047619%
O: 4.76190476190476%
N: 4.76190476190476%
Weight
115.175
Programa de Cálculo
G16
SMILES
C[C@H](CN1CC1)CO
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C6H13NO/c1-6(5-8)4-7-2-3-7/h6,8H,2-5H2,1H3/t6-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ZFHITAIDMFPCSC-ZCFIWIBFSA-N