CID 23844017

3-[(1-carboxyvinyl)oxy]benzoic acid

Structural Information

Molecular Formula
C10H8O5
SMILES
C=C(C(=O)O)OC1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C10H8O5/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14)
InChIKey
HGVAHYJMDVROLE-UHFFFAOYSA-N
Compound name
3-(1-carboxyethenoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

8
Patents

208.03717 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.044446 140.4
[M+Na]+ 231.026388 147.2
[M-H]- 207.029894 141.6
[M+NH4]+ 226.070993 157.4
[M+K]+ 247.000328 145.8
[M+H-H2O]+ 191.034430 134.9
[M+HCOO]- 253.035371 160.4
[M+CH3COO]- 267.051021 180.8
[M+Na-2H]- 229.011836 142.9
[M]+ 208.03662142 140.6
[M]- 208.03771858 140.6
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

patents stripe