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

1491
Patents

214.22966 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.23694 160.0
[M+Na]+ 237.21888 163.2
[M-H]- 213.22238 157.4
[M+NH4]+ 232.26348 178.2
[M+K]+ 253.19282 160.9
[M+H-H2O]+ 197.22692 154.4
[M+HCOO]- 259.22786 178.9
[M+CH3COO]- 273.24351 191.5
[M+Na-2H]- 235.20433 160.9
[M]+ 214.22911 163.2
[M]- 214.23021 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