CID 53480969

Mg(0:0/22:4(7z,10z,13z,16z)/0:0)

Structural Information

Molecular Formula
C25H42O4
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C25H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h6-7,9-10,12-13,15-16,24,26-27H,2-5,8,11,14,17-23H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey
DVYDCUGIJCYIQN-DOFZRALJSA-N
Compound name
1,3-dihydroxypropan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

406.30832 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.31560 210.8
[M+Na]+ 429.29754 210.5
[M-H]- 405.30104 205.0
[M+NH4]+ 424.34214 206.7
[M+K]+ 445.27148 203.5
[M+H-H2O]+ 389.30558 203.3
[M+HCOO]- 451.30652 217.3
[M+CH3COO]- 465.32217 220.8
[M+Na-2H]- 427.28299 204.6
[M]+ 406.30777 216.0
[M]- 406.30887 216.0
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.