CID 18665782

478045-62-4

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CCC(CC1)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C10H16O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h7-9H,1-6H2,(H,11,12)/t8-,9+/m0/s1
InChIKey
OMTOEUCUCXPIED-DTWKUNHWSA-N
Compound name
cis-(1R,2S)-2-cyclohexylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

168.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 135.6
[M+Na]+ 191.104258 142.0
[M-H]- 167.107764 141.2
[M+NH4]+ 186.148863 150.4
[M+K]+ 207.078198 139.7
[M+H-H2O]+ 151.112300 129.6
[M+HCOO]- 213.113241 154.2
[M+CH3COO]- 227.128891 180.0
[M+Na-2H]- 189.089706 138.7
[M]+ 168.11449142 133.1
[M]- 168.11558858 133.1
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