CID 13805844

1-cyclohexyloctan-1-ol

Structural Information

Molecular Formula
C14H28O
SMILES
CCCCCCCC(C1CCCCC1)O
InChI
InChI=1S/C14H28O/c1-2-3-4-5-9-12-14(15)13-10-7-6-8-11-13/h13-15H,2-12H2,1H3
InChIKey
WFUAQVZZZNBRJF-UHFFFAOYSA-N
Compound name
1-cyclohexyloctan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

11
Patents

212.21402 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.22130 157.0
[M+Na]+ 235.20324 158.4
[M-H]- 211.20674 157.1
[M+NH4]+ 230.24784 174.7
[M+K]+ 251.17718 156.0
[M+H-H2O]+ 195.21128 150.7
[M+HCOO]- 257.21222 173.1
[M+CH3COO]- 271.22787 187.8
[M+Na-2H]- 233.18869 157.6
[M]+ 212.21347 153.2
[M]- 212.21457 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe