CID 6334741

1ac-hp

Structural Information

Molecular Formula
C9H11N3O6P
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]3[C@@H](O3)[C@H](O2)CO[P+](=O)O
InChI
InChI=1S/C9H10N3O6P/c10-5-1-2-12(9(13)11-5)8-7-6(18-7)4(17-8)3-16-19(14)15/h1-2,4,6-8H,3H2,(H2-,10,11,13,14,15)/p+1/t4-,6+,7+,8-/m1/s1
InChIKey
ODRVNRWYJZWUOH-YDKYIBAVSA-O
Compound name
[(1S,2R,4R,5S)-4-(4-amino-2-oxopyrimidin-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

288.03854 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.04582 157.2
[M+Na]+ 311.02776 167.4
[M-H]- 287.03126 162.3
[M+NH4]+ 306.07236 164.7
[M+K]+ 327.00170 160.4
[M+H-H2O]+ 271.03580 150.5
[M+HCOO]- 333.03674 179.8
[M+CH3COO]- 347.05239 195.0
[M+Na-2H]- 309.01321 161.5
[M]+ 288.03799 162.2
[M]- 288.03909 162.2
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.