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]+ 373.331246 203.6
[M+Na]+ 395.313188 202.5
[M-H]- 371.316694 196.6
[M+NH4]+ 390.357793 213.6
[M+K]+ 411.287128 197.9
[M+H-H2O]+ 355.321230 196.3
[M+HCOO]- 417.322171 216.7
[M+CH3COO]- 431.337821 215.2
[M+Na-2H]- 393.298636 198.2
[M]+ 372.32342142 208.8
[M]- 372.32451858 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.