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: 63
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]+	176.106996	133.7
[M+Na]+	198.088938	139.9
[M-H]-	174.092444	136.7
[M+NH4]+	193.133543	152.0
[M+K]+	214.062878	140.5
[M+H-H2O]+	158.096980	128.5
[M+HCOO]-	220.097921	151.8
[M+CH3COO]-	234.113571	145.8
[M+Na-2H]-	196.074386	140.0
[M]+	175.09917142	127.6
[M]-	175.10026858	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe