CID 699414

4-methoxycinnamic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

COC1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+

InChIKey

AFDXODALSZRGIH-QPJJXVBHSA-N

Compound name

(E)-3-(4-methoxyphenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 103
References: 24037
Patents: 178.06299 Da
Monoisotopic Mass: 1.8
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	135.8
[M+Na]+	201.05221	143.6
[M-H]-	177.05571	138.3
[M+NH4]+	196.09681	155.3
[M+K]+	217.02615	141.4
[M+H-H2O]+	161.06025	130.3
[M+HCOO]-	223.06119	158.7
[M+CH3COO]-	237.07684	177.3
[M+Na-2H]-	199.03766	141.1
[M]+	178.06244	136.8
[M]-	178.06354	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe