CID 72223597

3-cyclopropoxy-4-methylbenzoic acid

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

CC1=C(C=C(C=C1)C(=O)O)OC2CC2

InChI

InChI=1S/C11H12O3/c1-7-2-3-8(11(12)13)6-10(7)14-9-4-5-9/h2-3,6,9H,4-5H2,1H3,(H,12,13)

InChIKey

CIPVZXOISJDNJR-UHFFFAOYSA-N

Compound name

3-cyclopropyloxy-4-methylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 192.07864 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]+	193.08592	142.1
[M+Na]+	215.06786	155.8
[M+NH4]+	210.11246	150.6
[M+K]+	231.04180	151.7
[M-H]-	191.07136	151.4
[M+Na-2H]-	213.05331	151.1
[M]+	192.07809	147.7
[M]-	192.07919	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe