CID 14003483

L-alpha-amino-omega-methyl-1-caprolactam

Structural Information

Molecular Formula
C7H14N2O
SMILES
CN1CCCC[C@@H](C1=O)N
InChI
InChI=1S/C7H14N2O/c1-9-5-3-2-4-6(8)7(9)10/h6H,2-5,8H2,1H3/t6-/m0/s1
InChIKey
GSUTYTQBQFQORF-LURJTMIESA-N
Compound name
(3S)-3-amino-1-methylazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

142.11061 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.117886 126.0
[M+Na]+ 165.099828 130.5
[M-H]- 141.103334 128.7
[M+NH4]+ 160.144433 144.5
[M+K]+ 181.073768 134.0
[M+H-H2O]+ 125.107870 119.8
[M+HCOO]- 187.108811 145.6
[M+CH3COO]- 201.124461 178.6
[M+Na-2H]- 163.085276 130.0
[M]+ 142.11006142 118.2
[M]- 142.11115858 118.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe