CID 6462215

4-(allyloxy)-3-methoxybenzoic acid

Structural Information

Molecular Formula

C₁₁H₁₂O₄

SMILES

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

InChI

InChI=1S/C11H12O4/c1-3-6-15-9-5-4-8(11(12)13)7-10(9)14-2/h3-5,7H,1,6H2,2H3,(H,12,13)

InChIKey

JAQPASQMIRCHIU-UHFFFAOYSA-N

Compound name

3-methoxy-4-prop-2-enoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 208.07356 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]+	209.08084	144.0
[M+Na]+	231.06278	155.7
[M+NH4]+	226.10738	150.6
[M+K]+	247.03672	150.6
[M-H]-	207.06628	144.2
[M+Na-2H]-	229.04823	148.8
[M]+	208.07301	145.5
[M]-	208.07411	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe