CID 131751121

(2z,8s,9z)-2,9-heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate

Structural Information

Molecular Formula
C19H26O3
SMILES
CCCCCCC/C=C/C(C#CC#C/C=C\COC(=O)C)O
InChI
InChI=1S/C19H26O3/c1-3-4-5-6-7-9-12-15-19(21)16-13-10-8-11-14-17-22-18(2)20/h11-12,14-15,19,21H,3-7,9,17H2,1-2H3/b14-11-,15-12+
InChIKey
QTWRNBXHKSYQGK-KMUHKHSISA-N
Compound name
[(2Z,9E)-8-hydroxyheptadeca-2,9-dien-4,6-diynyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1882 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.19548 176.2
[M+Na]+ 325.17742 183.3
[M-H]- 301.18092 175.4
[M+NH4]+ 320.22202 186.0
[M+K]+ 341.15136 178.3
[M+H-H2O]+ 285.18546 162.2
[M+HCOO]- 347.18640 182.7
[M+CH3COO]- 361.20205 221.0
[M+Na-2H]- 323.16287 173.1
[M]+ 302.18765 170.3
[M]- 302.18875 170.3
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.