CID 23844017

3-[(1-carboxylatovinyl)oxy]benzoate(2-)

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
2
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]+ 209.04445 140.4
[M+Na]+ 231.02639 147.2
[M-H]- 207.02989 141.6
[M+NH4]+ 226.07099 157.4
[M+K]+ 247.00033 145.8
[M+H-H2O]+ 191.03443 134.9
[M+HCOO]- 253.03537 160.4
[M+CH3COO]- 267.05102 180.8
[M+Na-2H]- 229.01184 142.9
[M]+ 208.03662 140.6
[M]- 208.03772 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