CID 9920917

Dtxsid401243643

Structural Information

Molecular Formula
C10H8O6
SMILES
C=C(C(=O)O)OC1=C(C=CC(=C1)C(=O)O)O
InChI
InChI=1S/C10H8O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,11H,1H2,(H,12,13)(H,14,15)
InChIKey
LKNPFOZIOWXDQS-UHFFFAOYSA-N
Compound name
3-(1-carboxyethenoxy)-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

224.03209 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.039366 142.8
[M+Na]+ 247.021308 149.9
[M-H]- 223.024814 142.9
[M+NH4]+ 242.065913 158.6
[M+K]+ 262.995248 148.3
[M+H-H2O]+ 207.029350 137.5
[M+HCOO]- 269.030291 161.4
[M+CH3COO]- 283.045941 182.1
[M+Na-2H]- 245.006756 144.1
[M]+ 224.03154142 142.9
[M]- 224.03263858 142.9
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