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
1
Annotation Hits

3
References

37
Patents

141.05383 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 125.4
[M+Na]+ 164.04305 137.2
[M+NH4]+ 159.08765 131.4
[M+K]+ 180.01699 133.2
[M-H]- 140.04655 124.8
[M+Na-2H]- 162.02850 130.2
[M]+ 141.05328 126.4
[M]- 141.05438 126.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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