CID 3020977

3-hexadecanol, 3,7,11,15-tetramethyl-

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

42
Patents

298.32358 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.330856 186.6
[M+Na]+ 321.312798 187.5
[M-H]- 297.316304 183.4
[M+NH4]+ 316.357403 201.5
[M+K]+ 337.286738 185.0
[M+H-H2O]+ 281.320840 180.9
[M+HCOO]- 343.321781 200.0
[M+CH3COO]- 357.337431 211.4
[M+Na-2H]- 319.298246 182.7
[M]+ 298.32303142 190.3
[M]- 298.32412858 190.3
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