CID 24798700

3-(1-carboxylatovinyloxy)anthranilate

Structural Information

Molecular Formula
C10H9NO5
SMILES
C=C(C(=O)O)OC1=CC=CC(=C1N)C(=O)O
InChI
InChI=1S/C10H9NO5/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4H,1,11H2,(H,12,13)(H,14,15)
InChIKey
GGCPIKCAFSGNKM-UHFFFAOYSA-N
Compound name
2-amino-3-(1-carboxyethenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.04807 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05535 144.9
[M+Na]+ 246.03729 151.7
[M-H]- 222.04079 145.8
[M+NH4]+ 241.08189 160.9
[M+K]+ 262.01123 150.0
[M+H-H2O]+ 206.04533 139.0
[M+HCOO]- 268.04627 165.1
[M+CH3COO]- 282.06192 186.9
[M+Na-2H]- 244.02274 145.8
[M]+ 223.04752 143.6
[M]- 223.04862 143.6
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

No patent data available for this compound.