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

5
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

patents stripe