CID 451896

114551-19-8

Structural Information

Molecular Formula
C9H11N3O5
SMILES
C1=CN(C(=O)N=C1NO)[C@H]2C3C(O3)[C@H](O2)CO
InChI
InChI=1S/C9H11N3O5/c13-3-4-6-7(17-6)8(16-4)12-2-1-5(11-15)10-9(12)14/h1-2,4,6-8,13,15H,3H2,(H,10,11,14)/t4-,6?,7?,8-/m1/s1
InChIKey
LQYKGSDSBXRVAH-AYZDMWBASA-N
Compound name
4-(hydroxyamino)-1-[(2R,4R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.06987 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07715 152.7
[M+Na]+ 264.05909 164.3
[M-H]- 240.06259 158.1
[M+NH4]+ 259.10369 161.9
[M+K]+ 280.03303 161.3
[M+H-H2O]+ 224.06713 145.8
[M+HCOO]- 286.06807 170.8
[M+CH3COO]- 300.08372 191.4
[M+Na-2H]- 262.04454 158.5
[M]+ 241.06932 158.0
[M]- 241.07042 158.0
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

No patent data available for this compound.