CID 6438206

Ethyl (2e,6z)-dodeca-2,6-dienoate

Structural Information

Molecular Formula
C14H24O2
SMILES
CCCCC/C=C\CC/C=C/C(=O)OCC
InChI
InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h8-9,12-13H,3-7,10-11H2,1-2H3/b9-8-,13-12+
InChIKey
AASSLPGKTZCKLS-YILALFFRSA-N
Compound name
ethyl (2E,6Z)-dodeca-2,6-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

224.17763 Da
Monoisotopic Mass

4.6
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

literature stripe

Patent stripe

patents stripe