CID 15956156

5-amino-1-[(z)-[(2r)-2-(hydroxymethyl)cyclopropylidene]methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H11N3O3
SMILES
C\1[C@H](/C1=C\N2C=C(C(=O)NC2=O)N)CO
InChI
InChI=1S/C9H11N3O3/c10-7-3-12(9(15)11-8(7)14)2-5-1-6(5)4-13/h2-3,6,13H,1,4,10H2,(H,11,14,15)/b5-2-/t6-/m0/s1
InChIKey
VVTZEMQLTRYFKK-YTGOSFIHSA-N
Compound name
5-amino-1-[(Z)-[(2R)-2-(hydroxymethyl)cyclopropylidene]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

209.08005 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.087326 148.1
[M+Na]+ 232.069268 160.2
[M-H]- 208.072774 151.1
[M+NH4]+ 227.113873 158.5
[M+K]+ 248.043208 153.1
[M+H-H2O]+ 192.077310 141.1
[M+HCOO]- 254.078251 169.0
[M+CH3COO]- 268.093901 186.0
[M+Na-2H]- 230.054716 151.7
[M]+ 209.07950142 148.6
[M]- 209.08059858 148.6
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.