CID 131839751

Methyl 7z,11z-hexadecadienoate

Structural Information

Molecular Formula
C17H30O2
SMILES
CCCC/C=C\CC/C=C\CCCCCC(=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/h6-7,10-11H,3-5,8-9,12-16H2,1-2H3/b7-6-,11-10-
InChIKey
FEFQAJVEHZNTHP-QOXWLJPHSA-N
Compound name
methyl (7Z,11Z)-hexadeca-7,11-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.22458 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.23186 171.5
[M+Na]+ 289.21380 175.1
[M-H]- 265.21730 170.1
[M+NH4]+ 284.25840 188.4
[M+K]+ 305.18774 171.6
[M+H-H2O]+ 249.22184 165.3
[M+HCOO]- 311.22278 191.9
[M+CH3COO]- 325.23843 200.5
[M+Na-2H]- 287.19925 171.6
[M]+ 266.22403 177.0
[M]- 266.22513 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.