CID 5282833

4,8,12,16-hexadecatetraenoic acid

Structural Information

Molecular Formula
C16H24O2
SMILES
C=CCC/C=C/C/C=C/CC/C=C/CCC(=O)O
InChI
InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2,5-6,8-9,12-13H,1,3-4,7,10-11,14-15H2,(H,17,18)/b6-5+,9-8+,13-12+
InChIKey
PPFXXOXUWGSHRC-JULSWDIZSA-N
Compound name
(4E,8E,11E)-hexadeca-4,8,11,15-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.17763 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 164.1
[M+Na]+ 271.16685 168.3
[M-H]- 247.17035 161.5
[M+NH4]+ 266.21145 180.8
[M+K]+ 287.14079 162.9
[M+H-H2O]+ 231.17489 158.5
[M+HCOO]- 293.17583 183.7
[M+CH3COO]- 307.19148 193.1
[M+Na-2H]- 269.15230 164.3
[M]+ 248.17708 165.9
[M]- 248.17818 165.9
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.