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

72
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

literature stripe

Patent stripe

patents stripe