CID 12782123

20678-82-4

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CN1C(=O)CCCC2=CC=CC=C21

InChI

InChI=1S/C11H13NO/c1-12-10-7-3-2-5-9(10)6-4-8-11(12)13/h2-3,5,7H,4,6,8H2,1H3

InChIKey

ZWFBAQAIVGHQLF-UHFFFAOYSA-N

Compound name

1-methyl-4,5-dihydro-3H-1-benzazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 104
Patents: 175.09972 Da
Monoisotopic Mass: 1.6
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]+	176.10700	132.7
[M+Na]+	198.08894	139.4
[M-H]-	174.09244	137.1
[M+NH4]+	193.13354	151.7
[M+K]+	214.06288	140.7
[M+H-H2O]+	158.09698	127.3
[M+HCOO]-	220.09792	152.3
[M+CH3COO]-	234.11357	145.5
[M+Na-2H]-	196.07439	139.6
[M]+	175.09917	128.4
[M]-	175.10027	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe