CID 137323866

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

Structural Information

Molecular Formula
C22H46O4
SMILES
CCCCCCCCCCCCCCCCC[C@H](COC[C@H](CO)O)O
InChI
InChI=1S/C22H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)19-26-20-22(25)18-23/h21-25H,2-20H2,1H3/t21-,22+/m1/s1
InChIKey
TYAPEMWQBJOODI-YADHBBJMSA-N
Compound name
(2S)-3-[(2R)-2-hydroxynonadecoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.3396 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.34688 204.9
[M+Na]+ 397.32882 203.4
[M-H]- 373.33232 197.8
[M+NH4]+ 392.37342 214.8
[M+K]+ 413.30276 199.4
[M+H-H2O]+ 357.33686 197.5
[M+HCOO]- 419.33780 217.7
[M+CH3COO]- 433.35345 216.6
[M+Na-2H]- 395.31427 199.4
[M]+ 374.33905 210.9
[M]- 374.34015 210.9
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.