CID 10877650

175093-00-2

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CC1=CC2=C(C=C1)NC(=O)CCC2

InChI

InChI=1S/C11H13NO/c1-8-5-6-10-9(7-8)3-2-4-11(13)12-10/h5-7H,2-4H2,1H3,(H,12,13)

InChIKey

ZIVVEMIZDQRVFL-UHFFFAOYSA-N

Compound name

7-methyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 175.09972 Da
Monoisotopic Mass: 1.8
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	135.0
[M+Na]+	198.08894	146.0
[M+NH4]+	193.13354	143.2
[M+K]+	214.06288	140.9
[M-H]-	174.09244	136.8
[M+Na-2H]-	196.07439	140.9
[M]+	175.09917	137.0
[M]-	175.10027	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe