CID 3020977

3,7,11,15-tetramethylhexadecan-3-ol

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
1
Annotation Hits

0
References

32
Patents

298.32358 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.33086 183.8
[M+Na]+ 321.31280 190.2
[M+NH4]+ 316.35740 189.4
[M+K]+ 337.28674 184.5
[M-H]- 297.31630 181.6
[M+Na-2H]- 319.29825 183.1
[M]+ 298.32303 183.9
[M]- 298.32413 183.9
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

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