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 226.1
[M+Na]+ 465.39144 229.1
[M-H]- 441.39494 211.5
[M+NH4]+ 460.43604 222.9
[M+K]+ 481.36538 218.7
[M+H-H2O]+ 425.39948 217.9
[M+HCOO]- 487.40042 226.8
[M+CH3COO]- 501.41607 232.9
[M+Na-2H]- 463.37689 217.4
[M]+ 442.40167 223.0
[M]- 442.40277 223.0
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.