CID 5363376

2e,7-octadienyl acetate

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(=O)OC/C=C/CCCC=C
InChI
InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3,7-8H,1,4-6,9H2,2H3/b8-7+
InChIKey
RDOHPVPONNHSPH-BQYQJAHWSA-N
Compound name
[(2E)-octa-2,7-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

131
Patents

168.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 139.1
[M+Na]+ 191.10426 145.6
[M-H]- 167.10776 139.0
[M+NH4]+ 186.14886 159.9
[M+K]+ 207.07820 144.0
[M+H-H2O]+ 151.11230 134.3
[M+HCOO]- 213.11324 161.8
[M+CH3COO]- 227.12889 180.0
[M+Na-2H]- 189.08971 143.0
[M]+ 168.11449 142.0
[M]- 168.11559 142.0
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