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

239
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

literature stripe

Patent stripe

patents stripe