CID 6365959

3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl acetate

Structural Information

Molecular Formula
C17H26O2
SMILES
CC(=CCC/C(=C/CCC(C)(C#C)OC(=O)C)/C)C
InChI
InChI=1S/C17H26O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h1,10,12H,8-9,11,13H2,2-6H3/b15-12+
InChIKey
HZLKVCNGPBLZPF-NTCAYCPXSA-N
Compound name
[(6E)-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 163.5
[M+Na]+ 285.18249 171.2
[M+NH4]+ 280.22709 165.3
[M+K]+ 301.15643 163.4
[M-H]- 261.18599 153.1
[M+Na-2H]- 283.16794 161.3
[M]+ 262.19272 160.6
[M]- 262.19382 160.6
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

No patent data available for this compound.