CID 131751278

4,8,12,15-octadecatetraenoic acid

Structural Information

Molecular Formula
C18H28O2
SMILES
CC/C=C\C/C=C\CC/C=C/CC/C=C/CCC(=O)O
InChI
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,10-11,14-15H,2,5,8-9,12-13,16-17H2,1H3,(H,19,20)/b4-3-,7-6-,11-10+,15-14+
InChIKey
SIVLURJESSFFDP-FLVFHSTKSA-N
Compound name
(4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

276.20892 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.21620 174.5
[M+Na]+ 299.19814 182.1
[M+NH4]+ 294.24274 179.0
[M+K]+ 315.17208 174.0
[M-H]- 275.20164 171.7
[M+Na-2H]- 297.18359 174.0
[M]+ 276.20837 174.2
[M]- 276.20947 174.2
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