CID 53480965

Mg(0:0/20:3(11z,14z,17z)/0:0)

Structural Information

Molecular Formula
C23H40O4
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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/h3-4,6-7,9-10,22,24-25H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-
InChIKey
SLRKCKOWXHZSDR-PDBXOOCHSA-N
Compound name
1,3-dihydroxypropan-2-yl (11Z,14Z,17Z)-icosa-11,14,17-trienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
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 203.7
[M+Na]+ 403.28188 203.8
[M-H]- 379.28538 198.2
[M+NH4]+ 398.32648 201.3
[M+K]+ 419.25582 197.9
[M+H-H2O]+ 363.28992 196.4
[M+HCOO]- 425.29086 212.2
[M+CH3COO]- 439.30651 216.3
[M+Na-2H]- 401.26733 198.4
[M]+ 380.29211 208.9
[M]- 380.29321 208.9
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