CID 4674196

22245-89-2

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

COC1=CC2=C(C=C1)NC(=O)CCC2

InChI

InChI=1S/C11H13NO2/c1-14-9-5-6-10-8(7-9)3-2-4-11(13)12-10/h5-7H,2-4H2,1H3,(H,12,13)

InChIKey

GZRSCYDBGFKKHY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 191.09464 Da
Monoisotopic Mass: 1.4
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]+	192.10192	138.0
[M+Na]+	214.08386	148.6
[M+NH4]+	209.12846	145.6
[M+K]+	230.05780	144.0
[M-H]-	190.08736	139.3
[M+Na-2H]-	212.06931	143.4
[M]+	191.09409	139.8
[M]-	191.09519	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe