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]+ 329.341416 195.5
[M+Na]+ 351.323358 195.1
[M-H]- 327.326864 190.1
[M+NH4]+ 346.367963 208.2
[M+K]+ 367.297298 191.0
[M+H-H2O]+ 311.331400 188.6
[M+HCOO]- 373.332341 209.7
[M+CH3COO]- 387.347991 212.4
[M+Na-2H]- 349.308806 190.8
[M]+ 328.33359142 200.1
[M]- 328.33468858 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.