CID 131779641

Mg(i-20:0/0:0/0:0)

Structural Information

Molecular Formula
C23H46O4
SMILES
CC(C)CCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O
InChI
InChI=1S/C23H46O4/c1-21(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23(26)27-20-22(25)19-24/h21-22,24-25H,3-20H2,1-2H3/t22-/m1/s1
InChIKey
ASGSROHYBOETMM-JOCHJYFZSA-N
Compound name
[(2R)-2,3-dihydroxypropyl] 18-methylnonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.3396 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.34688 204.7
[M+Na]+ 409.32882 208.8
[M+NH4]+ 404.37342 213.8
[M+K]+ 425.30276 203.0
[M-H]- 385.33232 200.5
[M+Na-2H]- 407.31427 201.2
[M]+ 386.33905 203.5
[M]- 386.34015 203.5
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.