CID 12755857

1-benzoylcyclopropanecarboxylic acid

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

4
Patents

190.06299 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.070266 138.8
[M+Na]+ 213.052208 147.6
[M-H]- 189.055714 145.4
[M+NH4]+ 208.096813 154.4
[M+K]+ 229.026148 145.6
[M+H-H2O]+ 173.060250 133.6
[M+HCOO]- 235.061191 160.6
[M+CH3COO]- 249.076841 182.3
[M+Na-2H]- 211.037656 144.8
[M]+ 190.06244142 141.0
[M]- 190.06353858 141.0
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