CID 5312429

2e,6z,8z,12e-hexadecatetraenoic acid

Structural Information

Molecular Formula
C16H24O2
SMILES
CCC/C=C/CC/C=C\C=C/CC/C=C/C(=O)O
InChI
InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3,(H,17,18)/b5-4+,9-8-,11-10-,15-14+
InChIKey
RJEBRGXXVDPTCM-LIJSHLLPSA-N
Compound name
(2E,6Z,8Z,12E)-hexadeca-2,6,8,12-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.17763 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.184906 164.4
[M+Na]+ 271.166848 168.6
[M-H]- 247.170354 161.8
[M+NH4]+ 266.211453 181.1
[M+K]+ 287.140788 163.2
[M+H-H2O]+ 231.174890 158.8
[M+HCOO]- 293.175831 184.0
[M+CH3COO]- 307.191481 192.4
[M+Na-2H]- 269.152296 164.6
[M]+ 248.17708142 166.0
[M]- 248.17817858 166.0
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.