CID 137323864

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

Structural Information

Molecular Formula
C19H40O4
SMILES
CCCCCCCCCCCCCC[C@H](COC[C@H](CO)O)O
InChI
InChI=1S/C19H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)16-23-17-19(22)15-20/h18-22H,2-17H2,1H3/t18-,19+/m1/s1
InChIKey
TUBKELMMEOOVKO-MOPGFXCFSA-N
Compound name
(2S)-3-[(2R)-2-hydroxyhexadecoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.29266 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.299936 191.9
[M+Na]+ 355.281878 191.7
[M-H]- 331.285384 185.4
[M+NH4]+ 350.326483 203.5
[M+K]+ 371.255818 188.4
[M+H-H2O]+ 315.289920 185.0
[M+HCOO]- 377.290861 205.7
[M+CH3COO]- 391.306511 207.8
[M+Na-2H]- 353.267326 187.9
[M]+ 332.29211142 196.8
[M]- 332.29320858 196.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.