CID 11674746

2-monolinolenin

Structural Information

Molecular Formula
C21H36O4
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-
InChIKey
ZCCLDKGWJIREQF-PDBXOOCHSA-N
Compound name
1,3-dihydroxypropan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

61
Patents

352.26135 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.26863 194.1
[M+Na]+ 375.25057 199.2
[M+NH4]+ 370.29517 197.2
[M+K]+ 391.22451 192.6
[M-H]- 351.25407 189.5
[M+Na-2H]- 373.23602 191.1
[M]+ 352.26080 192.8
[M]- 352.26190 192.8
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