CID 11275529

22246-71-5

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

COC1=CC2=C(CCCNC2=O)C=C1

InChI

InChI=1S/C11H13NO2/c1-14-9-5-4-8-3-2-6-12-11(13)10(8)7-9/h4-5,7H,2-3,6H2,1H3,(H,12,13)

InChIKey

GPWGAOXFZLKGQY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 191.09464 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]+	192.10192	136.8
[M+Na]+	214.08386	142.9
[M-H]-	190.08736	139.8
[M+NH4]+	209.12846	154.5
[M+K]+	230.05780	144.1
[M+H-H2O]+	174.09190	131.4
[M+HCOO]-	236.09284	155.1
[M+CH3COO]-	250.10849	182.7
[M+Na-2H]-	212.06931	143.2
[M]+	191.09409	132.1
[M]-	191.09519	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe