CID 131779652

Mg(0:0/i-24:0/0:0)

Structural Information

Molecular Formula
C27H54O4
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C27H54O4/c1-25(2)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-27(30)31-26(23-28)24-29/h25-26,28-29H,3-24H2,1-2H3
InChIKey
XBRPNKYDDZTHFM-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.40222 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.40950 221.7
[M+Na]+ 465.39144 228.8
[M+NH4]+ 460.43604 227.5
[M+K]+ 481.36538 226.4
[M-H]- 441.39494 214.8
[M+Na-2H]- 463.37689 217.2
[M]+ 442.40167 223.8
[M]- 442.40277 223.8
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

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No patent data available for this compound.