CID 85152479

6,8-heneicosanediol

Structural Information

Molecular Formula
C21H44O2
SMILES
CCCCCCCCCCCCCC(CC(CCCCC)O)O
InChI
InChI=1S/C21H44O2/c1-3-5-7-8-9-10-11-12-13-14-16-18-21(23)19-20(22)17-15-6-4-2/h20-23H,3-19H2,1-2H3
InChIKey
OGWWHCZGFKSJBF-UHFFFAOYSA-N
Compound name
henicosane-6,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.33414 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.34142 195.5
[M+Na]+ 351.32336 195.1
[M-H]- 327.32686 190.1
[M+NH4]+ 346.36796 208.2
[M+K]+ 367.29730 191.0
[M+H-H2O]+ 311.33140 188.6
[M+HCOO]- 373.33234 209.7
[M+CH3COO]- 387.34799 212.4
[M+Na-2H]- 349.30881 190.8
[M]+ 328.33359 200.1
[M]- 328.33469 200.1
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

No patent data available for this compound.