CID 14582682

1-o-(2r-methoxy-hexadecyl)-sn-glycerol

Structural Information

Molecular Formula
C20H42O4
SMILES
CCCCCCCCCCCCCC[C@H](COC[C@H](CO)O)OC
InChI
InChI=1S/C20H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23-2)18-24-17-19(22)16-21/h19-22H,3-18H2,1-2H3/t19-,20+/m0/s1
InChIKey
LMVRXHKEYGPTCX-VQTJNVASSA-N
Compound name
(2S)-3-[(2R)-2-methoxyhexadecoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.30832 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.31560 196.2
[M+Na]+ 369.29754 196.1
[M-H]- 345.30104 190.9
[M+NH4]+ 364.34214 208.0
[M+K]+ 385.27148 193.3
[M+H-H2O]+ 329.30558 188.9
[M+HCOO]- 391.30652 211.2
[M+CH3COO]- 405.32217 213.2
[M+Na-2H]- 367.28299 192.3
[M]+ 346.30777 203.4
[M]- 346.30887 203.4
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.