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

68
Patents

191.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 136.8
[M+Na]+ 214.083858 142.9
[M-H]- 190.087364 139.8
[M+NH4]+ 209.128463 154.5
[M+K]+ 230.057798 144.1
[M+H-H2O]+ 174.091900 131.4
[M+HCOO]- 236.092841 155.1
[M+CH3COO]- 250.108491 182.7
[M+Na-2H]- 212.069306 143.2
[M]+ 191.09409142 132.1
[M]- 191.09518858 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe