CID 135408507

Methyl 2-amino-6-hydroxypyrimidine-4-carboxylate

Structural Information

Molecular Formula
C6H7N3O3
SMILES
COC(=O)C1=CC(=O)NC(=N1)N
InChI
InChI=1S/C6H7N3O3/c1-12-5(11)3-2-4(10)9-6(7)8-3/h2H,1H3,(H3,7,8,9,10)
InChIKey
DRHLMNDFBCJNGA-UHFFFAOYSA-N
Compound name
methyl 2-amino-6-oxo-1H-pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

169.04874 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.056016 131.8
[M+Na]+ 192.037958 141.4
[M-H]- 168.041464 131.9
[M+NH4]+ 187.082563 148.6
[M+K]+ 208.011898 139.4
[M+H-H2O]+ 152.046000 124.9
[M+HCOO]- 214.046941 153.7
[M+CH3COO]- 228.062591 176.4
[M+Na-2H]- 190.023406 137.8
[M]+ 169.04819142 131.0
[M]- 169.04928858 131.0
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

patents stripe