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

39
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 141.1
[M+Na]+ 191.10426 152.4
[M+NH4]+ 186.14886 151.6
[M+K]+ 207.07820 146.6
[M-H]- 167.10776 150.5
[M+Na-2H]- 189.08971 150.1
[M]+ 168.11449 146.5
[M]- 168.11559 146.5
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