CID 5356285

2-hydroxy-4-phenylbut-3-enoic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C1=CC=C(C=C1)/C=C/C(C(=O)O)O

InChI

InChI=1S/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-7,9,11H,(H,12,13)/b7-6+

InChIKey

ZGGWKQRHPWUSNY-VOTSOKGWSA-N

Compound name

(E)-2-hydroxy-4-phenylbut-3-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 96
Patents: 178.06299 Da
Monoisotopic Mass: 1.5
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]+	179.070266	137.5
[M+Na]+	201.052208	143.7
[M-H]-	177.055714	138.3
[M+NH4]+	196.096813	155.9
[M+K]+	217.026148	141.0
[M+H-H2O]+	161.060250	132.1
[M+HCOO]-	223.061191	157.9
[M+CH3COO]-	237.076841	174.5
[M+Na-2H]-	199.037656	141.7
[M]+	178.06244142	135.6
[M]-	178.06353858	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe