CID 295889

Ethyl 2-aminopyrimidine-5-carboxylate

Structural Information

Molecular Formula
C7H9N3O2
SMILES
CCOC(=O)C1=CN=C(N=C1)N
InChI
InChI=1S/C7H9N3O2/c1-2-12-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3,(H2,8,9,10)
InChIKey
GCGQBUJYXVSZBS-UHFFFAOYSA-N
Compound name
ethyl 2-aminopyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

167.06947 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 133.7
[M+Na]+ 190.05869 142.1
[M-H]- 166.06219 134.6
[M+NH4]+ 185.10329 151.1
[M+K]+ 206.03263 140.9
[M+H-H2O]+ 150.06673 126.3
[M+HCOO]- 212.06767 156.4
[M+CH3COO]- 226.08332 179.3
[M+Na-2H]- 188.04414 140.4
[M]+ 167.06892 134.0
[M]- 167.07002 134.0
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