CID 500272

Nsc680326

Structural Information

Molecular Formula
C8H10N2O3
SMILES
C1C(C1N2C=CC(=O)NC2=O)CO
InChI
InChI=1S/C8H10N2O3/c11-4-5-3-6(5)10-2-1-7(12)9-8(10)13/h1-2,5-6,11H,3-4H2,(H,9,12,13)
InChIKey
UMIBAQGXMVUTBS-UHFFFAOYSA-N
Compound name
1-[2-(hydroxymethyl)cyclopropyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 141.4
[M+Na]+ 205.05836 153.4
[M-H]- 181.06186 144.6
[M+NH4]+ 200.10296 153.1
[M+K]+ 221.03230 148.0
[M+H-H2O]+ 165.06640 134.3
[M+HCOO]- 227.06734 162.0
[M+CH3COO]- 241.08299 178.8
[M+Na-2H]- 203.04381 146.7
[M]+ 182.06859 143.3
[M]- 182.06969 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.