CID 131779650

Mg(0:0/21:0/0:0)

Structural Information

Molecular Formula
C24H48O4
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C24H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)28-23(21-25)22-26/h23,25-26H,2-22H2,1H3
InChIKey
CIPMITAXICEYOT-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl henicosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.35526 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.36254 212.3
[M+Na]+ 423.34448 210.8
[M-H]- 399.34798 206.3
[M+NH4]+ 418.38908 211.1
[M+K]+ 439.31842 206.5
[M+H-H2O]+ 383.35252 204.4
[M+HCOO]- 445.35346 220.0
[M+CH3COO]- 459.36911 223.4
[M+Na-2H]- 421.32993 206.3
[M]+ 400.35471 220.2
[M]- 400.35581 220.2
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.