CID 91212825

Beta-glycerylphosphorylcholine

Structural Information

Molecular Formula
C8H21NO6P
SMILES
C[N+](C)(C)CCOP(=O)(O)OC(CO)CO
InChI
InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-8(6-10)7-11/h8,10-11H,4-7H2,1-3H3/p+1
InChIKey
DQBGWLUPOYEQQT-UHFFFAOYSA-O
Compound name
2-[1,3-dihydroxypropan-2-yloxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

49
Patents

258.11066 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11794 156.4
[M+Na]+ 281.09988 160.9
[M-H]- 257.10338 152.9
[M+NH4]+ 276.14448 165.3
[M+K]+ 297.07382 156.1
[M+H-H2O]+ 241.10792 152.4
[M+HCOO]- 303.10886 184.1
[M+CH3COO]- 317.12451 185.4
[M+Na-2H]- 279.08533 162.8
[M]+ 258.11011 159.6
[M]- 258.11121 159.6
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.