CID 6437401

(7z,9e)-dodecadienyl acetate

Structural Information

Molecular Formula
C14H24O2
SMILES
CC/C=C/C=C\CCCCCCOC(=O)C
InChI
InChI=1S/C14H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h4-7H,3,8-13H2,1-2H3/b5-4+,7-6-
InChIKey
LLRZUAWETKPZJO-DEQVHDEQSA-N
Compound name
[(7Z,9E)-dodeca-7,9-dienyl] acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

3244
Patents

224.17763 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 157.8
[M+Na]+ 247.16685 162.7
[M-H]- 223.17035 157.0
[M+NH4]+ 242.21145 176.4
[M+K]+ 263.14079 160.0
[M+H-H2O]+ 207.17489 152.2
[M+HCOO]- 269.17583 179.2
[M+CH3COO]- 283.19148 191.4
[M+Na-2H]- 245.15230 159.5
[M]+ 224.17708 162.2
[M]- 224.17818 162.2
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

No patent data available for this compound.