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: 101
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	134.8
[M+Na]+	198.08894	146.4
[M+NH4]+	193.13354	143.3
[M+K]+	214.06288	141.0
[M-H]-	174.09244	137.1
[M+Na-2H]-	196.07439	141.2
[M]+	175.09917	137.1
[M]-	175.10027	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe