CID 80453

5-amino-6-methylpyrimidine-2,4-diol

Structural Information

Molecular Formula
C5H7N3O2
SMILES
CC1=C(C(=O)NC(=O)N1)N
InChI
InChI=1S/C5H7N3O2/c1-2-3(6)4(9)8-5(10)7-2/h6H2,1H3,(H2,7,8,9,10)
InChIKey
FNSSATCDUXTALE-UHFFFAOYSA-N
Compound name
5-amino-6-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

53
Patents

141.05383 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.061106 125.6
[M+Na]+ 164.043048 136.5
[M-H]- 140.046554 124.7
[M+NH4]+ 159.087653 143.3
[M+K]+ 180.016988 132.7
[M+H-H2O]+ 124.051090 119.6
[M+HCOO]- 186.052031 147.1
[M+CH3COO]- 200.067681 169.9
[M+Na-2H]- 162.028496 131.9
[M]+ 141.05328142 122.2
[M]- 141.05437858 122.2
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

patents stripe