CID 102459

Dihydrophytol

Structural Information

Molecular Formula
C20H42O
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)CCO
InChI
InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3
InChIKey
AJAKLDUGVSKVDG-UHFFFAOYSA-N
Compound name
3,7,11,15-tetramethylhexadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

515
Patents

298.32358 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.33086 188.4
[M+Na]+ 321.31280 188.6
[M-H]- 297.31630 185.0
[M+NH4]+ 316.35740 203.1
[M+K]+ 337.28674 186.1
[M+H-H2O]+ 281.32084 182.0
[M+HCOO]- 343.32178 202.3
[M+CH3COO]- 357.33743 211.9
[M+Na-2H]- 319.29825 182.3
[M]+ 298.32303 191.9
[M]- 298.32413 191.9
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