CID 5319562

Methyl 4-hydroxycinnamate

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

COC(=O)/C=C/C1=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/b7-4+

InChIKey

NITWSHWHQAQBAW-QPJJXVBHSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 50
References: 1604
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]+	179.07027	137.3
[M+Na]+	201.05221	149.3
[M+NH4]+	196.09681	144.7
[M+K]+	217.02615	143.7
[M-H]-	177.05571	138.0
[M+Na-2H]-	199.03766	143.1
[M]+	178.06244	139.0
[M]-	178.06354	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe