CID 12755857

79172-43-3

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

C1CC1(C(=O)C2=CC=CC=C2)C(=O)O

InChI

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

InChIKey

RPRZRJABAKWWSK-UHFFFAOYSA-N

Compound name

1-benzoylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 190.06299 Da
Monoisotopic Mass: 1.6
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	138.8
[M+Na]+	213.05221	147.6
[M-H]-	189.05571	145.4
[M+NH4]+	208.09681	154.4
[M+K]+	229.02615	145.6
[M+H-H2O]+	173.06025	133.6
[M+HCOO]-	235.06119	160.6
[M+CH3COO]-	249.07684	182.3
[M+Na-2H]-	211.03766	144.8
[M]+	190.06244	141.0
[M]-	190.06354	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe