CID 545551

2-hexyl-1-octanol

Structural Information

Molecular Formula
C14H30O
SMILES
CCCCCCC(CCCCCC)CO
InChI
InChI=1S/C14H30O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h14-15H,3-13H2,1-2H3
InChIKey
QNMCWJOEQBZQHB-UHFFFAOYSA-N
Compound name
2-hexyloctan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1332
Patents

214.22966 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.236936 160.0
[M+Na]+ 237.218878 163.2
[M-H]- 213.222384 157.4
[M+NH4]+ 232.263483 178.2
[M+K]+ 253.192818 160.9
[M+H-H2O]+ 197.226920 154.4
[M+HCOO]- 259.227861 178.9
[M+CH3COO]- 273.243511 191.5
[M+Na-2H]- 235.204326 160.9
[M]+ 214.22911142 163.2
[M]- 214.23020858 163.2
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