CID 451895

114563-61-0

Structural Information

Molecular Formula
C10H13N3O4
SMILES
CNC1=NC(=O)N(C=C1)[C@H]2C3C(O3)[C@H](O2)CO
InChI
InChI=1S/C10H13N3O4/c1-11-6-2-3-13(10(15)12-6)9-8-7(17-8)5(4-14)16-9/h2-3,5,7-9,14H,4H2,1H3,(H,11,12,15)/t5-,7?,8?,9-/m1/s1
InChIKey
DRINUVQKAMXVHC-WFXDJJTDSA-N
Compound name
1-[(2R,4R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-4-(methylamino)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.0906 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09788 155.4
[M+Na]+ 262.07982 167.2
[M-H]- 238.08332 161.9
[M+NH4]+ 257.12442 165.4
[M+K]+ 278.05376 164.4
[M+H-H2O]+ 222.08786 148.1
[M+HCOO]- 284.08880 174.4
[M+CH3COO]- 298.10445 194.2
[M+Na-2H]- 260.06527 160.8
[M]+ 239.09005 161.2
[M]- 239.09115 161.2
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.