CID 5282809

4,7,10-hexadecatrienoic acid

Structural Information

Molecular Formula
C16H26O2
SMILES
CCCCC/C=C/C/C=C/C/C=C/CCC(=O)O
InChI
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h6-7,9-10,12-13H,2-5,8,11,14-15H2,1H3,(H,17,18)/b7-6+,10-9+,13-12+
InChIKey
SBIXFICRPNNLIR-YHTMAJSVSA-N
Compound name
(4E,7E,10E)-hexadeca-4,7,10-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

23
Patents

250.19328 Da
Monoisotopic Mass

5.0
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

literature stripe

Patent stripe

patents stripe