CID 76709

P-hydroxyphenyl acrylate

Structural Information

Molecular Formula

C₉H₈O₃

SMILES

C=CC(=O)OC1=CC=C(C=C1)O

InChI

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

InChIKey

NIUHGYUFFPSEOW-UHFFFAOYSA-N

Compound name

(4-hydroxyphenyl) prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 2683
Patents: 164.04735 Da
Monoisotopic Mass: 1.9
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]+	165.054626	131.1
[M+Na]+	187.036568	139.3
[M-H]-	163.040074	133.8
[M+NH4]+	182.081173	151.2
[M+K]+	203.010508	137.4
[M+H-H2O]+	147.044610	125.8
[M+HCOO]-	209.045551	154.3
[M+CH3COO]-	223.061201	174.3
[M+Na-2H]-	185.022016	137.0
[M]+	164.04680142	131.7
[M]-	164.04789858	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe