CID 6426661

Schembl15775971

Structural Information

Molecular Formula
C16H30O3
SMILES
CC(C)CC(C)(C#CC(C)(CC(C)C)OCCO)O
InChI
InChI=1S/C16H30O3/c1-13(2)11-15(5,18)7-8-16(6,12-14(3)4)19-10-9-17/h13-14,17-18H,9-12H2,1-6H3
InChIKey
JXYFVIQBROPVIH-UHFFFAOYSA-N
Compound name
7-(2-hydroxyethoxy)-2,4,7,9-tetramethyldec-5-yn-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

270.21948 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.226756 171.1
[M+Na]+ 293.208698 176.5
[M-H]- 269.212204 167.7
[M+NH4]+ 288.253303 184.9
[M+K]+ 309.182638 174.7
[M+H-H2O]+ 253.216740 160.9
[M+HCOO]- 315.217681 180.0
[M+CH3COO]- 329.233331 203.8
[M+Na-2H]- 291.194146 170.8
[M]+ 270.21893142 168.1
[M]- 270.22002858 168.1
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

patents stripe