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 138.2
[M+Na]+ 191.10426 149.5
[M+NH4]+ 186.14886 147.3
[M+K]+ 207.07820 145.6
[M-H]- 167.10776 147.4
[M+Na-2H]- 189.08971 145.6
[M]+ 168.11449 143.3
[M]- 168.11559 143.3
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