CID 6506600

Hexadecatrienoic acid

Structural Information

Molecular Formula
C16H26O2
SMILES
CCCCCCCCC/C=C/C=C/C=C/C(=O)O
InChI
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-15H,2-9H2,1H3,(H,17,18)/b11-10+,13-12+,15-14+
InChIKey
SZQQHKQCCBDXCG-BAHYSTIISA-N
Compound name
(2E,4E,6E)-hexadeca-2,4,6-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2966
Patents

250.19328 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 165.9
[M+Na]+ 273.182498 169.8
[M-H]- 249.186004 163.2
[M+NH4]+ 268.227103 182.6
[M+K]+ 289.156438 165.0
[M+H-H2O]+ 233.190540 160.2
[M+HCOO]- 295.191481 185.3
[M+CH3COO]- 309.207131 193.9
[M+Na-2H]- 271.167946 166.0
[M]+ 250.19273142 168.3
[M]- 250.19382858 168.3
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.