CID 5281165

(z)-3,5-hexadienyl butyrate

Structural Information

Molecular Formula
C10H16O2
SMILES
CCCC(=O)OCC/C=C\C=C
InChI
InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5-6H,1,4,7-9H2,2H3/b6-5-
InChIKey
USOPMHKCANPDTP-WAYWQWQTSA-N
Compound name
[(3Z)-hexa-3,5-dienyl] butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 140.3
[M+Na]+ 191.10426 150.0
[M+NH4]+ 186.14886 147.0
[M+K]+ 207.07820 143.6
[M-H]- 167.10776 138.8
[M+Na-2H]- 189.08971 142.8
[M]+ 168.11449 140.9
[M]- 168.11559 140.9
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.