CID 78367

4-nonylcyclohexan-1-ol

Structural Information

Molecular Formula
C15H30O
SMILES
CCCCCCCCCC1CCC(CC1)O
InChI
InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h14-16H,2-13H2,1H3
InChIKey
YJIHHZAGMZFGKS-UHFFFAOYSA-N
Compound name
4-nonylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

226.22966 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.236936 160.4
[M+Na]+ 249.218878 162.6
[M-H]- 225.222384 160.6
[M+NH4]+ 244.263483 177.9
[M+K]+ 265.192818 159.5
[M+H-H2O]+ 209.226920 154.1
[M+HCOO]- 271.227861 177.3
[M+CH3COO]- 285.243511 191.1
[M+Na-2H]- 247.204326 161.1
[M]+ 226.22911142 158.1
[M]- 226.23020858 158.1
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

patents stripe