CID 57900611

858486-40-5

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1CC(=O)NC2=CC=CC=C2C1C(=O)O
InChI
InChI=1S/C11H11NO3/c13-10-6-5-8(11(14)15)7-3-1-2-4-9(7)12-10/h1-4,8H,5-6H2,(H,12,13)(H,14,15)
InChIKey
OGRMVNGOKYWTMR-UHFFFAOYSA-N
Compound name
2-oxo-1,3,4,5-tetrahydro-1-benzazepine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 140.2
[M+Na]+ 228.06312 149.5
[M+NH4]+ 223.10772 146.6
[M+K]+ 244.03706 146.4
[M-H]- 204.06662 140.1
[M+Na-2H]- 226.04857 144.2
[M]+ 205.07335 141.2
[M]- 205.07445 141.2
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