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: 9
Patents: 192.04225 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.04953	139.6
[M+Na]+	215.03147	149.8
[M+NH4]+	210.07607	145.4
[M+K]+	231.00541	146.7
[M-H]-	191.03497	138.5
[M+Na-2H]-	213.01692	143.4
[M]+	192.04170	140.3
[M]-	192.04280	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe