CID 137323850

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

Structural Information

Molecular Formula
C23H46O4
SMILES
CCCCCCCCCCCCCC/C=C\C[C@H](COC[C@H](CO)O)OC
InChI
InChI=1S/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26-2)21-27-20-22(25)19-24/h16-17,22-25H,3-15,18-21H2,1-2H3/b17-16-/t22-,23+/m0/s1
InChIKey
WJGWLUYBZYOUTA-BQUJUOOLSA-N
Compound name
(2S)-3-[(Z,2R)-2-methoxynonadec-4-enoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.3396 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.34688 207.9
[M+Na]+ 409.32882 206.9
[M-H]- 385.33232 202.2
[M+NH4]+ 404.37342 207.5
[M+K]+ 425.30276 202.9
[M+H-H2O]+ 369.33686 200.3
[M+HCOO]- 431.33780 216.7
[M+CH3COO]- 445.35345 220.5
[M+Na-2H]- 407.31427 202.5
[M]+ 386.33905 215.5
[M]- 386.34015 215.5
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.