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]+ 210.08733 148.1
[M+Na]+ 232.06927 160.2
[M-H]- 208.07277 151.1
[M+NH4]+ 227.11387 158.5
[M+K]+ 248.04321 153.1
[M+H-H2O]+ 192.07731 141.1
[M+HCOO]- 254.07825 169.0
[M+CH3COO]- 268.09390 186.0
[M+Na-2H]- 230.05472 151.7
[M]+ 209.07950 148.6
[M]- 209.08060 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.