CID 439285

Glycero-3-phosphocholine

Structural Information

Molecular Formula
C8H21NO6P
SMILES
C[N+](C)(C)CCOP(=O)(O)OC[C@@H](CO)O
InChI
InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1
InChIKey
SUHOQUVVVLNYQR-MRVPVSSYSA-O
Compound name
2-[[(2R)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1313
References

11473
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