CID 131779634

Mg(0:0/a-25:0/0:0)[rac]

Structural Information

Molecular Formula
C28H56O4
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C28H56O4/c1-3-26(2)22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-28(31)32-27(24-29)25-30/h26-27,29-30H,3-25H2,1-2H3
InChIKey
NBJPIWBNCVOCPG-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.41785 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.42513 227.7
[M+Na]+ 479.40707 232.5
[M-H]- 455.41057 214.7
[M+NH4]+ 474.45167 226.5
[M+K]+ 495.38101 231.4
[M+H-H2O]+ 439.41511 222.0
[M+HCOO]- 501.41605 230.0
[M+CH3COO]- 515.43170 235.8
[M+Na-2H]- 477.39252 221.2
[M]+ 456.41730 226.5
[M]- 456.41840 226.5
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.