CID 13520685

37682-06-7

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

COC1=CC2=C(CCNC(=O)C2)C=C1

InChI

InChI=1S/C11H13NO2/c1-14-10-3-2-8-4-5-12-11(13)7-9(8)6-10/h2-3,6H,4-5,7H2,1H3,(H,12,13)

InChIKey

WUNQZFYRIABBKP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 191.09464 Da
Monoisotopic Mass: 1.1
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