CID 131751123

2,4-hexadecadienoic acid, methyl ester, (e,z)-

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

1
Patents

266.22458 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.231856 171.5
[M+Na]+ 289.213798 175.1
[M-H]- 265.217304 170.1
[M+NH4]+ 284.258403 188.4
[M+K]+ 305.187738 171.6
[M+H-H2O]+ 249.221840 165.3
[M+HCOO]- 311.222781 191.9
[M+CH3COO]- 325.238431 200.5
[M+Na-2H]- 287.199246 171.6
[M]+ 266.22403142 177.0
[M]- 266.22512858 177.0
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