CID 20833816

(e)-3-hexenyl (2z,4z)-2,4-decadienoate

Structural Information

Molecular Formula
C16H26O2
SMILES
CCCCC/C=C\C=C/C(=O)OCC/C=C/CC
InChI
InChI=1S/C16H26O2/c1-3-5-7-9-10-11-12-14-16(17)18-15-13-8-6-4-2/h6,8,10-12,14H,3-5,7,9,13,15H2,1-2H3/b8-6+,11-10-,14-12-
InChIKey
GDCDHOABPPVBLT-DBQLZJNWSA-N
Compound name
[(E)-hex-3-enyl] (2Z,4Z)-deca-2,4-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.19328 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 165.4
[M+Na]+ 273.182498 169.8
[M-H]- 249.186004 164.2
[M+NH4]+ 268.227103 182.9
[M+K]+ 289.156438 166.0
[M+H-H2O]+ 233.190540 159.5
[M+HCOO]- 295.191481 186.3
[M+CH3COO]- 309.207131 195.9
[M+Na-2H]- 271.167946 166.1
[M]+ 250.19273142 169.7
[M]- 250.19382858 169.7
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.