CID 16061058

(r)-2-hydroxy-alpha-linolenate

Structural Information

Molecular Formula
C18H30O3
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCC[C@H](C(=O)O)O
InChI
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h3-4,6-7,9-10,17,19H,2,5,8,11-16H2,1H3,(H,20,21)/b4-3-,7-6-,10-9-/t17-/m1/s1
InChIKey
JQXGCBKGIBTCHY-KITAFTRQSA-N
Compound name
(2R,9Z,12Z,15Z)-2-hydroxyoctadeca-9,12,15-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

294.21948 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22676 178.5
[M+Na]+ 317.20870 184.7
[M+NH4]+ 312.25330 182.1
[M+K]+ 333.18264 178.3
[M-H]- 293.21220 174.6
[M+Na-2H]- 315.19415 176.7
[M]+ 294.21893 177.6
[M]- 294.22003 177.6
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