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
2
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 165.1
[M+Na]+ 323.11044 179.5
[M-H]- 299.11394 175.3
[M+NH4]+ 318.15504 177.8
[M+K]+ 339.08438 165.5
[M+H-H2O]+ 283.11848 160.7
[M+HCOO]- 345.11942 191.2
[M+CH3COO]- 359.13507 195.0
[M+Na-2H]- 321.09589 170.5
[M]+ 300.12067 171.7
[M]- 300.12177 171.7
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

patents stripe