CID 6455199

65796-91-0

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CNC1CCCCNC1=O

InChI

InChI=1S/C7H14N2O/c1-8-6-4-2-3-5-9-7(6)10/h6,8H,2-5H2,1H3,(H,9,10)

InChIKey

DWDJOZZRBORZQE-UHFFFAOYSA-N

Compound name

3-(methylamino)azepan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
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	127.2
[M+Na]+	165.09983	130.4
[M-H]-	141.10333	128.6
[M+NH4]+	160.14443	144.9
[M+K]+	181.07377	133.2
[M+H-H2O]+	125.10787	120.9
[M+HCOO]-	187.10881	145.9
[M+CH3COO]-	201.12446	175.7
[M+Na-2H]-	163.08528	132.3
[M]+	142.11006	118.2
[M]-	142.11116	118.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe