CID 21452925

2-cyclopropoxybenzoic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C1CC1OC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C10H10O3/c11-10(12)8-3-1-2-4-9(8)13-7-5-6-7/h1-4,7H,5-6H2,(H,11,12)

InChIKey

HJBBRHYDVCVOEF-UHFFFAOYSA-N

Compound name

2-cyclopropyloxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 178.06299 Da
Monoisotopic Mass: 2.1
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]+	179.07027	138.9
[M+Na]+	201.05221	152.4
[M+NH4]+	196.09681	147.6
[M+K]+	217.02615	148.3
[M-H]-	177.05571	148.2
[M+Na-2H]-	199.03766	148.3
[M]+	178.06244	144.5
[M]-	178.06354	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe