CID 3126233

87144-92-1

Structural Information

Molecular Formula
C17H32O
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)O
InChI
InChI=1S/C17H32O/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h14-18H,2-13H2,1H3
InChIKey
LGORKSSOIBSSJH-UHFFFAOYSA-N
Compound name
4-(4-pentylcyclohexyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

252.24532 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.25260 166.6
[M+Na]+ 275.23454 167.1
[M-H]- 251.23804 169.4
[M+NH4]+ 270.27914 182.7
[M+K]+ 291.20848 163.4
[M+H-H2O]+ 235.24258 159.4
[M+HCOO]- 297.24352 179.9
[M+CH3COO]- 311.25917 195.0
[M+Na-2H]- 273.21999 165.0
[M]+ 252.24477 158.4
[M]- 252.24587 158.4
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.