CID 53480964

Mg(0:0/20:2(11z,14z)/0:0)

Structural Information

Molecular Formula
C23H42O4
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C23H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,22,24-25H,2-5,8,11-21H2,1H3/b7-6-,10-9-
InChIKey
PMJSUEZTCFTBMD-HZJYTTRNSA-N
Compound name
1,3-dihydroxypropan-2-yl (11Z,14Z)-icosa-11,14-dienoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

382.30832 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.31560 203.4
[M+Na]+ 405.29754 207.9
[M+NH4]+ 400.34214 207.0
[M+K]+ 421.27148 207.2
[M-H]- 381.30104 198.9
[M+Na-2H]- 403.28299 199.9
[M]+ 382.30777 202.0
[M]- 382.30887 202.0
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

No patent data available for this compound.