CID 17606908

4-(3-methoxypropoxy)benzoic acid

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

COCCCOC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H14O4/c1-14-7-2-8-15-10-5-3-9(4-6-10)11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)

InChIKey

CHURMVNLEIRYIC-UHFFFAOYSA-N

Compound name

4-(3-methoxypropoxy)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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	145.2
[M+Na]+	233.07842	156.5
[M+NH4]+	228.12302	152.1
[M+K]+	249.05236	151.2
[M-H]-	209.08192	145.6
[M+Na-2H]-	231.06387	150.4
[M]+	210.08865	146.7
[M]-	210.08975	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe