CID 131751123

Methyl 2e,4z-hexadecadienoate

Structural Information

Molecular Formula
C17H30O2
SMILES
CCCCCCCCCCC/C=C\C=C\C(=O)OC
InChI
InChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h13-16H,3-12H2,1-2H3/b14-13-,16-15+
InChIKey
ACUIYXOOZPHRRA-DHEZTBRESA-N
Compound name
methyl (2E,4Z)-hexadeca-2,4-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.22458 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.23186 171.1
[M+Na]+ 289.21380 179.4
[M+NH4]+ 284.25840 176.6
[M+K]+ 305.18774 171.3
[M-H]- 265.21730 169.3
[M+Na-2H]- 287.19925 171.7
[M]+ 266.22403 171.4
[M]- 266.22513 171.4
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