CID 119867

3,7,11,15-tetramethylhexadec-1-yn-3-ol

Structural Information

Molecular Formula
C20H38O
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)(C#C)O
InChI
InChI=1S/C20H38O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h1,17-19,21H,8-16H2,2-6H3
InChIKey
MULUCORRSAVKOA-UHFFFAOYSA-N
Compound name
3,7,11,15-tetramethylhexadec-1-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

202
Patents

294.29227 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.29955 178.8
[M+Na]+ 317.28149 182.7
[M-H]- 293.28499 175.8
[M+NH4]+ 312.32609 192.3
[M+K]+ 333.25543 179.3
[M+H-H2O]+ 277.28953 167.6
[M+HCOO]- 339.29047 188.0
[M+CH3COO]- 353.30612 214.9
[M+Na-2H]- 315.26694 175.3
[M]+ 294.29172 176.4
[M]- 294.29282 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.