CID 451886

2',3'-anhydrolyxo-u

Structural Information

Molecular Formula
C9H10N2O5
SMILES
C1=CN(C(=O)NC1=O)[C@H]2C3C(O3)[C@H](O2)CO
InChI
InChI=1S/C9H10N2O5/c12-3-4-6-7(16-6)8(15-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,10,13,14)/t4-,6?,7?,8-/m1/s1
InChIKey
UKUNPMSUMJHIKI-AYZDMWBASA-N
Compound name
1-[(2R,4R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

226.05898 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06626 149.7
[M+Na]+ 249.04820 162.5
[M-H]- 225.05170 155.1
[M+NH4]+ 244.09280 159.8
[M+K]+ 265.02214 159.2
[M+H-H2O]+ 209.05624 143.1
[M+HCOO]- 271.05718 166.9
[M+CH3COO]- 285.07283 185.8
[M+Na-2H]- 247.03365 154.7
[M]+ 226.05843 154.8
[M]- 226.05953 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe