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

91
Patents

191.09464 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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