CID 53446110

Dtxsid90703311

Structural Information

Molecular Formula
C10H8O4
SMILES
C=C(C(=O)C1=CC=C(C=C1)O)C(=O)O
InChI
InChI=1S/C10H8O4/c1-6(10(13)14)9(12)7-2-4-8(11)5-3-7/h2-5,11H,1H2,(H,13,14)
InChIKey
YASXTZFENFJJKU-UHFFFAOYSA-N
Compound name
2-(4-hydroxybenzoyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

192.04225 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04953 137.7
[M+Na]+ 215.03147 144.7
[M-H]- 191.03497 138.9
[M+NH4]+ 210.07607 155.4
[M+K]+ 231.00541 142.6
[M+H-H2O]+ 175.03951 132.5
[M+HCOO]- 237.04045 157.4
[M+CH3COO]- 251.05610 178.6
[M+Na-2H]- 213.01692 140.1
[M]+ 192.04170 136.4
[M]- 192.04280 136.4
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