CID 82111799

3-cyclopropanecarbonylbenzoic acid

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

C1CC1C(=O)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C11H10O3/c12-10(7-4-5-7)8-2-1-3-9(6-8)11(13)14/h1-3,6-7H,4-5H2,(H,13,14)

InChIKey

SOSVRSIEZKEXHF-UHFFFAOYSA-N

Compound name

3-(cyclopropanecarbonyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 190.06299 Da
Monoisotopic Mass: 2.0
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]+	191.07027	142.3
[M+Na]+	213.05221	155.3
[M+NH4]+	208.09681	150.4
[M+K]+	229.02615	151.7
[M-H]-	189.05571	151.0
[M+Na-2H]-	211.03766	150.9
[M]+	190.06244	147.5
[M]-	190.06354	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe