CID 59569097

4-cyclopropylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CC1C2CCC(CC2)C(=O)O
InChI
InChI=1S/C10H16O2/c11-10(12)9-5-3-8(4-6-9)7-1-2-7/h7-9H,1-6H2,(H,11,12)
InChIKey
MQWHZJSBTAETGQ-UHFFFAOYSA-N
Compound name
4-cyclopropylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.11504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 135.6
[M+Na]+ 191.10426 142.0
[M-H]- 167.10776 141.2
[M+NH4]+ 186.14886 150.4
[M+K]+ 207.07820 139.7
[M+H-H2O]+ 151.11230 129.6
[M+HCOO]- 213.11324 154.2
[M+CH3COO]- 227.12889 180.0
[M+Na-2H]- 189.08971 138.7
[M]+ 168.11449 133.1
[M]- 168.11559 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