CID 82184

1,16-hexadecanediol

Structural Information

Molecular Formula
C16H34O2
SMILES
C(CCCCCCCCO)CCCCCCCO
InChI
InChI=1S/C16H34O2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2
InChIKey
GJBXIPOYHVMPQJ-UHFFFAOYSA-N
Compound name
hexadecane-1,16-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

7011
Patents

258.2559 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.26318 171.4
[M+Na]+ 281.24512 173.5
[M-H]- 257.24862 166.8
[M+NH4]+ 276.28972 187.0
[M+K]+ 297.21906 169.8
[M+H-H2O]+ 241.25316 165.2
[M+HCOO]- 303.25410 189.3
[M+CH3COO]- 317.26975 196.0
[M+Na-2H]- 279.23057 172.0
[M]+ 258.25535 175.5
[M]- 258.25645 175.5
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