CID 5282814

9,12,15-hexadecatrienoic acid

Structural Information

Molecular Formula
C16H26O2
SMILES
C=CC/C=C/C/C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2,4-5,7-8H,1,3,6,9-15H2,(H,17,18)/b5-4+,8-7+
InChIKey
OAXMYGCFSSOPQP-AOSYACOCSA-N
Compound name
(9E,12E)-hexadeca-9,12,15-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

250.19328 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.20056 165.7
[M+Na]+ 273.18250 169.5
[M-H]- 249.18600 162.9
[M+NH4]+ 268.22710 182.2
[M+K]+ 289.15644 164.6
[M+H-H2O]+ 233.19054 159.9
[M+HCOO]- 295.19148 185.0
[M+CH3COO]- 309.20713 194.6
[M+Na-2H]- 271.16795 165.8
[M]+ 250.19273 168.2
[M]- 250.19383 168.2
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

patents stripe