CID 131779655

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

Structural Information

Molecular Formula
C27H54O4
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O
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)31-24-26(29)23-28/h25-26,28-29H,3-24H2,1-2H3/t26-/m1/s1
InChIKey
LTVFKAQLGHRULD-AREMUKBSSA-N
Compound name
[(2R)-2,3-dihydroxypropyl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.40222 Da
Monoisotopic Mass

10.4
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

Patent stripe

No patent data available for this compound.