CID 9942397

3e,5e-decadienyl acetate

Structural Information

Molecular Formula
C12H20O2
SMILES
CCCC/C=C/C=C/CCOC(=O)C
InChI
InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h6-9H,3-5,10-11H2,1-2H3/b7-6+,9-8+
InChIKey
BBALEUFMAFGKSL-BLHCBFLLSA-N
Compound name
[(3E,5E)-deca-3,5-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

196.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 148.6
[M+Na]+ 219.13555 154.3
[M-H]- 195.13905 148.2
[M+NH4]+ 214.18015 168.3
[M+K]+ 235.10949 152.2
[M+H-H2O]+ 179.14359 143.4
[M+HCOO]- 241.14453 170.7
[M+CH3COO]- 255.16018 185.4
[M+Na-2H]- 217.12100 151.4
[M]+ 196.14578 152.2
[M]- 196.14688 152.2
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