CID 2761136

386715-42-0

Structural Information

Molecular Formula
C13H11NO3
SMILES
C1CC2=CC=CC3=C2N(C1)C(=O)C(=C3)C(=O)O
InChI
InChI=1S/C13H11NO3/c15-12-10(13(16)17)7-9-4-1-3-8-5-2-6-14(12)11(8)9/h1,3-4,7H,2,5-6H2,(H,16,17)
InChIKey
HMCFZIUMULQCRT-UHFFFAOYSA-N
Compound name
2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

229.0739 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 146.9
[M+Na]+ 252.06312 160.8
[M+NH4]+ 247.10772 155.4
[M+K]+ 268.03706 154.3
[M-H]- 228.06662 148.3
[M+Na-2H]- 250.04857 151.7
[M]+ 229.07335 149.2
[M]- 229.07445 149.2
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