CID 53745023

1-cyclohexylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CCC(CC1)C2(CC2)C(=O)O
InChI
InChI=1S/C10H16O2/c11-9(12)10(6-7-10)8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChIKey
CXFVLOHIQZJBGH-UHFFFAOYSA-N
Compound name
1-cyclohexylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

168.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 137.6
[M+Na]+ 191.10426 143.9
[M-H]- 167.10776 143.2
[M+NH4]+ 186.14886 154.0
[M+K]+ 207.07820 142.6
[M+H-H2O]+ 151.11230 132.5
[M+HCOO]- 213.11324 155.9
[M+CH3COO]- 227.12889 178.5
[M+Na-2H]- 189.08971 142.3
[M]+ 168.11449 135.1
[M]- 168.11559 135.1
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