CID 92203

3943-97-3

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

COC(=O)C=CC1=CC=C(C=C1)O

InChI

InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3

InChIKey

NITWSHWHQAQBAW-UHFFFAOYSA-N

Compound name

methyl 3-(4-hydroxyphenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 68
References: 1813
Patents: 178.06299 Da
Monoisotopic Mass: 2.3
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	136.0
[M+Na]+	201.052208	143.9
[M-H]-	177.055714	138.6
[M+NH4]+	196.096813	155.6
[M+K]+	217.026148	141.8
[M+H-H2O]+	161.060250	130.6
[M+HCOO]-	223.061191	158.9
[M+CH3COO]-	237.076841	176.6
[M+Na-2H]-	199.037656	141.3
[M]+	178.06244142	137.0
[M]-	178.06353858	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe