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

46
Patents

226.22966 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.23694 160.4
[M+Na]+ 249.21888 162.6
[M-H]- 225.22238 160.6
[M+NH4]+ 244.26348 177.9
[M+K]+ 265.19282 159.5
[M+H-H2O]+ 209.22692 154.1
[M+HCOO]- 271.22786 177.3
[M+CH3COO]- 285.24351 191.1
[M+Na-2H]- 247.20433 161.1
[M]+ 226.22911 158.1
[M]- 226.23021 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