CID 2063915

4-isopropoxy-3-methoxybenzoic acid

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)O)OC

InChI

InChI=1S/C11H14O4/c1-7(2)15-9-5-4-8(11(12)13)6-10(9)14-3/h4-7H,1-3H3,(H,12,13)

InChIKey

JIDRJYBQEIPGRF-UHFFFAOYSA-N

Compound name

3-methoxy-4-propan-2-yloxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 87
Patents: 210.0892 Da
Monoisotopic Mass: 2.4
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]+	211.09648	144.7
[M+Na]+	233.07842	156.0
[M+NH4]+	228.12302	151.4
[M+K]+	249.05236	151.8
[M-H]-	209.08192	144.9
[M+Na-2H]-	231.06387	149.3
[M]+	210.08865	146.1
[M]-	210.08975	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe