CID 206758

28673-54-3

Structural Information

Molecular Formula
C16H26O2
SMILES
CCC(C1=CCC(CC1)C2CCCCC2)C(=O)O
InChI
InChI=1S/C16H26O2/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h10,12-13,15H,2-9,11H2,1H3,(H,17,18)
InChIKey
NJZIUJMBNASWAI-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylcyclohexen-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.19328 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 162.6
[M+Na]+ 273.18250 163.3
[M-H]- 249.18600 165.8
[M+NH4]+ 268.22710 178.2
[M+K]+ 289.15644 160.6
[M+H-H2O]+ 233.19054 155.6
[M+HCOO]- 295.19148 176.1
[M+CH3COO]- 309.20713 193.4
[M+Na-2H]- 271.16795 160.9
[M]+ 250.19273 154.6
[M]- 250.19383 154.6
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

No patent data available for this compound.