CID 43185810

3-(aminomethyl)azepan-2-one hydrochloride

Structural Information

Molecular Formula
C7H14N2O
SMILES
C1CCNC(=O)C(C1)CN
InChI
InChI=1S/C7H14N2O/c8-5-6-3-1-2-4-9-7(6)10/h6H,1-5,8H2,(H,9,10)
InChIKey
FVDVYUMFTBQHLF-UHFFFAOYSA-N
Compound name
3-(aminomethyl)azepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.11061 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.117886 127.3
[M+Na]+ 165.099828 130.5
[M-H]- 141.103334 128.3
[M+NH4]+ 160.144433 144.8
[M+K]+ 181.073768 133.1
[M+H-H2O]+ 125.107870 121.0
[M+HCOO]- 187.108811 145.5
[M+CH3COO]- 201.124461 175.1
[M+Na-2H]- 163.085276 131.4
[M]+ 142.11006142 117.4
[M]- 142.11115858 117.4
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

No patent data available for this compound.