CID 118072285

Methyl 6-amino-5-methoxypyrimidine-4-carboxylate

Structural Information

Molecular Formula
C7H9N3O3
SMILES
COC1=C(N=CN=C1N)C(=O)OC
InChI
InChI=1S/C7H9N3O3/c1-12-5-4(7(11)13-2)9-3-10-6(5)8/h3H,1-2H3,(H2,8,9,10)
InChIKey
WVBSKULOIAYZFS-UHFFFAOYSA-N
Compound name
methyl 6-amino-5-methoxypyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.06439 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07167 136.3
[M+Na]+ 206.05361 145.6
[M-H]- 182.05711 137.6
[M+NH4]+ 201.09821 153.4
[M+K]+ 222.02755 144.9
[M+H-H2O]+ 166.06165 129.0
[M+HCOO]- 228.06259 159.3
[M+CH3COO]- 242.07824 182.7
[M+Na-2H]- 204.03906 142.4
[M]+ 183.06384 138.5
[M]- 183.06494 138.5
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