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]+ 251.200556 161.5
[M+Na]+ 273.182498 162.9
[M-H]- 249.186004 164.9
[M+NH4]+ 268.227103 177.3
[M+K]+ 289.156438 160.2
[M+H-H2O]+ 233.190540 155.0
[M+HCOO]- 295.191481 174.5
[M+CH3COO]- 309.207131 192.9
[M+Na-2H]- 271.167946 162.0
[M]+ 250.19273142 153.7
[M]- 250.19382858 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.