CID 19424742

Schembl83978

Structural Information

Molecular Formula

C₉H₈O₃

SMILES

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

InChI

InChI=1S/C9H8O3/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-5,10H,1H2,(H,11,12)

InChIKey

SVTBKBTZCWQLGX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 241
Patents: 164.04735 Da
Monoisotopic Mass: 1.7
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]+	165.05463	133.1
[M+Na]+	187.03657	144.4
[M+NH4]+	182.08117	140.1
[M+K]+	203.01051	140.1
[M-H]-	163.04007	133.1
[M+Na-2H]-	185.02202	138.1
[M]+	164.04680	134.4
[M]-	164.04790	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe