CID 9546676

2-acetyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C10H23NO7P
SMILES
CC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C10H22NO7P/c1-9(13)18-10(7-12)8-17-19(14,15)16-6-5-11(2,3)4/h10,12H,5-8H2,1-4H3/p+1/t10-/m1/s1
InChIKey
ZHRISDYJXKPXAW-SNVBAGLBSA-O
Compound name
2-[[(2R)-2-acetyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

300.12122 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12850 175.6
[M+Na]+ 323.11044 182.8
[M+NH4]+ 318.15504 184.9
[M+K]+ 339.08438 190.9
[M-H]- 299.11394 158.4
[M+Na-2H]- 321.09589 162.0
[M]+ 300.12067 178.0
[M]- 300.12177 178.0
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.