CID 6334743

1au-hp

Structural Information

Molecular Formula
C9H10N2O7P
SMILES
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]3[C@@H](O3)[C@H](O2)CO[P+](=O)O
InChI
InChI=1S/C9H9N2O7P/c12-5-1-2-11(9(13)10-5)8-7-6(18-7)4(17-8)3-16-19(14)15/h1-2,4,6-8H,3H2,(H-,10,12,13,14,15)/p+1/t4-,6+,7+,8-/m1/s1
InChIKey
VLGFIVYJTHRJIR-YDKYIBAVSA-O
Compound name
[(1S,2R,4R,5S)-4-(2,4-dioxopyrimidin-1-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methoxy-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.02255 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.02983 156.5
[M+Na]+ 312.01177 167.2
[M-H]- 288.01527 160.9
[M+NH4]+ 307.05637 163.8
[M+K]+ 327.98571 159.9
[M+H-H2O]+ 272.01981 150.2
[M+HCOO]- 334.02075 177.5
[M+CH3COO]- 348.03640 189.8
[M+Na-2H]- 309.99722 160.9
[M]+ 289.02200 162.1
[M]- 289.02310 162.1
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.