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

28
Patents

250.19328 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 165.7
[M+Na]+ 273.182498 169.5
[M-H]- 249.186004 162.9
[M+NH4]+ 268.227103 182.2
[M+K]+ 289.156438 164.6
[M+H-H2O]+ 233.190540 159.9
[M+HCOO]- 295.191481 185.0
[M+CH3COO]- 309.207131 194.6
[M+Na-2H]- 271.167946 165.8
[M]+ 250.19273142 168.2
[M]- 250.19382858 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