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

42
Patents

168.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 137.6
[M+Na]+ 191.104258 143.9
[M-H]- 167.107764 143.2
[M+NH4]+ 186.148863 154.0
[M+K]+ 207.078198 142.6
[M+H-H2O]+ 151.112300 132.5
[M+HCOO]- 213.113241 155.9
[M+CH3COO]- 227.128891 178.5
[M+Na-2H]- 189.089706 142.3
[M]+ 168.11449142 135.1
[M]- 168.11558858 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