CID 14638778

(z,e)-5,7-dodecadienyl propionate

Structural Information

Molecular Formula
C15H26O2
SMILES
CCCC/C=C/C=C\CCCCOC(=O)CC
InChI
InChI=1S/C15H26O2/c1-3-5-6-7-8-9-10-11-12-13-14-17-15(16)4-2/h7-10H,3-6,11-14H2,1-2H3/b8-7+,10-9-
InChIKey
FDPOUOBXISIHOH-GOJKSUSPSA-N
Compound name
[(5Z,7E)-dodeca-5,7-dienyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

238.19328 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 162.4
[M+Na]+ 261.182498 166.9
[M-H]- 237.186004 161.4
[M+NH4]+ 256.227103 180.4
[M+K]+ 277.156438 163.9
[M+H-H2O]+ 221.190540 156.6
[M+HCOO]- 283.191481 183.5
[M+CH3COO]- 297.207131 194.5
[M+Na-2H]- 259.167946 163.6
[M]+ 238.19273142 167.1
[M]- 238.19382858 167.1
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