CID 5314012

Pc(3:0/0:0)

Structural Information

Molecular Formula
C11H25NO7P
SMILES
CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C11H24NO7P/c1-5-11(14)17-8-10(13)9-19-20(15,16)18-7-6-12(2,3)4/h10,13H,5-9H2,1-4H3/p+1/t10-/m1/s1
InChIKey
YYZULYFULDDFDM-SNVBAGLBSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

314.13687 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.14415 177.5
[M+Na]+ 337.12609 183.2
[M-H]- 313.12959 178.8
[M+NH4]+ 332.17069 181.6
[M+K]+ 353.10003 173.5
[M+H-H2O]+ 297.13413 165.4
[M+HCOO]- 359.13507 194.6
[M+CH3COO]- 373.15072 198.0
[M+Na-2H]- 335.11154 174.8
[M]+ 314.13632 175.4
[M]- 314.13742 175.4
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