CID 112206

2h-azepin-2-one, 3-(dimethylamino)hexahydro-

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

CN(C)C1CCCCNC1=O

InChI

InChI=1S/C8H16N2O/c1-10(2)7-5-3-4-6-9-8(7)11/h7H,3-6H2,1-2H3,(H,9,11)

InChIKey

CFZGIDYCUWFUJR-UHFFFAOYSA-N

Compound name

3-(dimethylamino)azepan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 231
Patents: 156.12627 Da
Monoisotopic Mass: 0.5
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]+	157.13355	130.2
[M+Na]+	179.11549	133.2
[M-H]-	155.11899	132.9
[M+NH4]+	174.16009	148.0
[M+K]+	195.08943	137.2
[M+H-H2O]+	139.12353	123.7
[M+HCOO]-	201.12447	149.2
[M+CH3COO]-	215.14012	181.8
[M+Na-2H]-	177.10094	134.2
[M]+	156.12572	122.8
[M]-	156.12682	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe