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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 136.6
[M+Na]+ 213.05221 145.5
[M-H]- 189.05571 143.2
[M+NH4]+ 208.09681 150.6
[M+K]+ 229.02615 142.5
[M+H-H2O]+ 173.06025 130.5
[M+HCOO]- 235.06119 158.7
[M+CH3COO]- 249.07684 183.8
[M+Na-2H]- 211.03766 141.0
[M]+ 190.06244 138.7
[M]- 190.06354 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe