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]+ 333.29994 191.9
[M+Na]+ 355.28188 191.7
[M-H]- 331.28538 185.4
[M+NH4]+ 350.32648 203.5
[M+K]+ 371.25582 188.4
[M+H-H2O]+ 315.28992 185.0
[M+HCOO]- 377.29086 205.7
[M+CH3COO]- 391.30651 207.8
[M+Na-2H]- 353.26733 187.9
[M]+ 332.29211 196.8
[M]- 332.29321 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.