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]+ 251.200556 162.6
[M+Na]+ 273.182498 163.3
[M-H]- 249.186004 165.8
[M+NH4]+ 268.227103 178.2
[M+K]+ 289.156438 160.6
[M+H-H2O]+ 233.190540 155.6
[M+HCOO]- 295.191481 176.1
[M+CH3COO]- 309.207131 193.4
[M+Na-2H]- 271.167946 160.9
[M]+ 250.19273142 154.6
[M]- 250.19382858 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.