CID 109691

68186-53-8

Structural Information

Molecular Formula
C22H44NO6P
SMILES
CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCOP(=O)(O)O
InChI
InChI=1S/C22H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)23(18-20-24)19-21-29-30(26,27)28/h9-10,24H,2-8,11-21H2,1H3,(H2,26,27,28)
InChIKey
FJTUMYJUEPRCCL-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl(octadec-9-enoyl)amino]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.29062 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.29790 216.5
[M+Na]+ 472.27984 221.5
[M-H]- 448.28334 210.6
[M+NH4]+ 467.32444 216.7
[M+K]+ 488.25378 216.1
[M+H-H2O]+ 432.28788 206.8
[M+HCOO]- 494.28882 224.2
[M+CH3COO]- 508.30447 231.9
[M+Na-2H]- 470.26529 201.8
[M]+ 449.29007 211.4
[M]- 449.29117 211.4
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.