CID 9102186

3-allyl-4,5-dimethoxybenzoic acid

Structural Information

Molecular Formula

C₁₂H₁₄O₄

SMILES

COC1=CC(=CC(=C1OC)CC=C)C(=O)O

InChI

InChI=1S/C12H14O4/c1-4-5-8-6-9(12(13)14)7-10(15-2)11(8)16-3/h4,6-7H,1,5H2,2-3H3,(H,13,14)

InChIKey

OOIOZZQYJBKCMV-UHFFFAOYSA-N

Compound name

3,4-dimethoxy-5-prop-2-enylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 13
Patents: 222.0892 Da
Monoisotopic Mass: 2.5
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]+	223.09648	148.1
[M+Na]+	245.07842	159.9
[M+NH4]+	240.12302	154.5
[M+K]+	261.05236	154.8
[M-H]-	221.08192	148.3
[M+Na-2H]-	243.06387	152.5
[M]+	222.08865	149.6
[M]-	222.08975	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe