CID 16061034

(8z,11z,14z)-heptadecatrienoate

Structural Information

Molecular Formula
C17H28O2
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O
InChI
InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h3-4,6-7,9-10H,2,5,8,11-16H2,1H3,(H,18,19)/b4-3-,7-6-,10-9-
InChIKey
FAFSAZIEJFMBBY-PDBXOOCHSA-N
Compound name
(8Z,11Z,14Z)-heptadeca-8,11,14-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

264.20892 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.216196 170.4
[M+Na]+ 287.198138 173.8
[M-H]- 263.201644 167.5
[M+NH4]+ 282.242743 186.5
[M+K]+ 303.172078 168.8
[M+H-H2O]+ 247.206180 164.4
[M+HCOO]- 309.207121 189.4
[M+CH3COO]- 323.222771 197.0
[M+Na-2H]- 285.183586 170.0
[M]+ 264.20837142 173.2
[M]- 264.20946858 173.2
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