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 205.1
[M+Na]+ 405.29754 204.9
[M-H]- 381.30104 199.5
[M+NH4]+ 400.34214 203.3
[M+K]+ 421.27148 199.6
[M+H-H2O]+ 365.30558 197.7
[M+HCOO]- 427.30652 213.6
[M+CH3COO]- 441.32217 217.7
[M+Na-2H]- 403.28299 199.8
[M]+ 382.30777 211.1
[M]- 382.30887 211.1
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.