CID 4220093

85175-85-5

Structural Information

Molecular Formula
C11H11NO2
SMILES
COC1=CC2=C(C=C1)C=CNC(=O)C2
InChI
InChI=1S/C11H11NO2/c1-14-10-3-2-8-4-5-12-11(13)7-9(8)6-10/h2-6H,7H2,1H3,(H,12,13)
InChIKey
OQNNFDKEVAURGV-UHFFFAOYSA-N
Compound name
8-methoxy-1,3-dihydro-3-benzazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

67
Patents

189.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 136.6
[M+Na]+ 212.06820 148.0
[M+NH4]+ 207.11280 144.3
[M+K]+ 228.04214 143.2
[M-H]- 188.07170 138.1
[M+Na-2H]- 210.05365 142.9
[M]+ 189.07843 138.6
[M]- 189.07953 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe