CID 43185810

2137604-86-3

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	143.11789	128.1
[M+Na]+	165.09983	135.4
[M+NH4]+	160.14443	134.9
[M+K]+	181.07377	132.3
[M-H]-	141.10333	128.7
[M+Na-2H]-	163.08528	132.1
[M]+	142.11006	128.9
[M]-	142.11116	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.