CID 53480966

Mg(0:0/20:3(5z,8z,11z)/0:0)

Structural Information

Molecular Formula
C23H40O4
SMILES
CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO
InChI
InChI=1S/C23H40O4/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/h9-10,12-13,15-16,22,24-25H,2-8,11,14,17-21H2,1H3/b10-9-,13-12-,16-15-
InChIKey
CRSKSGIHJXUIHD-YOILPLPUSA-N
Compound name
1,3-dihydroxypropan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

380.29266 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.29994 202.6
[M+Na]+ 403.28188 207.2
[M+NH4]+ 398.32648 204.2
[M+K]+ 419.25582 204.9
[M-H]- 379.28538 197.9
[M+Na-2H]- 401.26733 199.1
[M]+ 380.29211 201.2
[M]- 380.29321 201.2
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.