CID 206759

28673-57-6

Structural Information

Molecular Formula
C16H26O2
SMILES
CC(C)(C1=CCC(CC1)C2CCCCC2)C(=O)O
InChI
InChI=1S/C16H26O2/c1-16(2,15(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h10,12-13H,3-9,11H2,1-2H3,(H,17,18)
InChIKey
OJNQXRQCOHSFHG-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylcyclohexen-1-yl)-2-methylpropanoic 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 161.5
[M+Na]+ 273.18250 162.9
[M-H]- 249.18600 164.9
[M+NH4]+ 268.22710 177.3
[M+K]+ 289.15644 160.2
[M+H-H2O]+ 233.19054 155.0
[M+HCOO]- 295.19148 174.5
[M+CH3COO]- 309.20713 192.9
[M+Na-2H]- 271.16795 162.0
[M]+ 250.19273 153.7
[M]- 250.19383 153.7
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.