CID 53480972

Mg(0:0/24:0/0:0)

Structural Information

Molecular Formula
C27H54O4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C27H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-26(24-28)25-29/h26,28-29H,2-25H2,1H3
InChIKey
SNMGFBFZTAYEBF-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

442.40222 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.40950 225.1
[M+Na]+ 465.39144 229.2
[M-H]- 441.39494 210.6
[M+NH4]+ 460.43604 221.9
[M+K]+ 481.36538 217.4
[M+H-H2O]+ 425.39948 216.7
[M+HCOO]- 487.40042 229.7
[M+CH3COO]- 501.41607 232.1
[M+Na-2H]- 463.37689 217.7
[M]+ 442.40167 223.6
[M]- 442.40277 223.6
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.