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 162.8
[M+Na]+ 273.18250 172.0
[M+NH4]+ 268.22710 170.9
[M+K]+ 289.15644 165.8
[M-H]- 249.18600 165.8
[M+Na-2H]- 271.16795 166.9
[M]+ 250.19273 164.7
[M]- 250.19383 164.7
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.