CID 146170528

Uv1

Structural Information

Molecular Formula

C₁₁H₁₁NO₂

SMILES

COC1=CC=CC2=NC(=O)CCC=C21

InChI

InChI=1S/C11H11NO2/c1-14-10-6-3-5-9-8(10)4-2-7-11(13)12-9/h3-6H,2,7H2,1H3

InChIKey

DRMBRISDJOVCJR-UHFFFAOYSA-N

Compound name

6-methoxy-3,4-dihydro-1-benzazepin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.07898 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]+	190.08626	135.3
[M+Na]+	212.06820	148.1
[M+NH4]+	207.11280	143.4
[M+K]+	228.04214	142.8
[M-H]-	188.07170	137.4
[M+Na-2H]-	210.05365	142.9
[M]+	189.07843	137.8
[M]-	189.07953	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.