CID 12404

1-eicosanol

Structural Information

Molecular Formula
C20H42O
SMILES
CCCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3
InChIKey
BTFJIXJJCSYFAL-UHFFFAOYSA-N
Compound name
icosan-1-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

162
References

77467
Patents

298.32358 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.33086 185.8
[M+Na]+ 321.31280 186.8
[M-H]- 297.31630 182.0
[M+NH4]+ 316.35740 200.7
[M+K]+ 337.28674 182.4
[M+H-H2O]+ 281.32084 178.9
[M+HCOO]- 343.32178 203.7
[M+CH3COO]- 357.33743 208.7
[M+Na-2H]- 319.29825 184.9
[M]+ 298.32303 192.0
[M]- 298.32413 192.0
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