CID 21452864

4-cyclopropoxybenzoic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

C1CC1OC2=CC=C(C=C2)C(=O)O

InChI

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

InChIKey

VUANULXCHKBPDD-UHFFFAOYSA-N

Compound name

4-cyclopropyloxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 178.06299 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]+	179.07027	133.9
[M+Na]+	201.05221	143.3
[M-H]-	177.05571	140.6
[M+NH4]+	196.09681	148.5
[M+K]+	217.02615	140.6
[M+H-H2O]+	161.06025	127.8
[M+HCOO]-	223.06119	157.1
[M+CH3COO]-	237.07684	180.9
[M+Na-2H]-	199.03766	139.9
[M]+	178.06244	136.9
[M]-	178.06354	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe