CID 137323858

1-o-(2r-hydroxy-4z-nonadecenyl)-sn-glycerol

Structural Information

Molecular Formula
C22H44O4
SMILES
CCCCCCCCCCCCCC/C=C\C[C@H](COC[C@H](CO)O)O
InChI
InChI=1S/C22H44O4/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/h15-16,21-25H,2-14,17-20H2,1H3/b16-15-/t21-,22+/m1/s1
InChIKey
BUPYIEXRJGFBJH-KGGLAZBSSA-N
Compound name
(2S)-3-[(Z,2R)-2-hydroxynonadec-4-enoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.32397 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.33125 203.6
[M+Na]+ 395.31319 202.5
[M-H]- 371.31669 196.6
[M+NH4]+ 390.35779 213.6
[M+K]+ 411.28713 197.9
[M+H-H2O]+ 355.32123 196.3
[M+HCOO]- 417.32217 216.7
[M+CH3COO]- 431.33782 215.2
[M+Na-2H]- 393.29864 198.2
[M]+ 372.32342 208.8
[M]- 372.32452 208.8
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.