CID 52925153

1-(1z-eicosenyl)-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C25H52NO6P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C25H52NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-30-23-25(27)24-32-33(28,29)31-22-20-26/h19,21,25,27H,2-18,20,22-24,26H2,1H3,(H,28,29)/b21-19-/t25-/m1/s1
InChIKey
GBHFCJJMZAWCCH-HFQDTZRISA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-[(Z)-icos-1-enoxy]propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.3532 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.36048 225.6
[M+Na]+ 516.34242 228.8
[M-H]- 492.34592 215.8
[M+NH4]+ 511.38702 222.7
[M+K]+ 532.31636 224.3
[M+H-H2O]+ 476.35046 214.4
[M+HCOO]- 538.35140 232.9
[M+CH3COO]- 552.36705 240.8
[M+Na-2H]- 514.32787 208.4
[M]+ 493.35265 219.5
[M]- 493.35375 219.5
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.