CID 53446110

2-(4-hydroxybenzoyl)prop-2-enoic acid

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

16
Patents

192.04225 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.049526 137.7
[M+Na]+ 215.031468 144.7
[M-H]- 191.034974 138.9
[M+NH4]+ 210.076073 155.4
[M+K]+ 231.005408 142.6
[M+H-H2O]+ 175.039510 132.5
[M+HCOO]- 237.040451 157.4
[M+CH3COO]- 251.056101 178.6
[M+Na-2H]- 213.016916 140.1
[M]+ 192.04170142 136.4
[M]- 192.04279858 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