CID 231662

Ethyl 4-amino-2-methylpyrimidine-5-carboxylate

Structural Information

Molecular Formula
C8H11N3O2
SMILES
CCOC(=O)C1=CN=C(N=C1N)C
InChI
InChI=1S/C8H11N3O2/c1-3-13-8(12)6-4-10-5(2)11-7(6)9/h4H,3H2,1-2H3,(H2,9,10,11)
InChIKey
YRKLYFMSXXRRNJ-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2-methylpyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

181.08513 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.092406 138.3
[M+Na]+ 204.074348 147.3
[M-H]- 180.077854 139.4
[M+NH4]+ 199.118953 155.5
[M+K]+ 220.048288 145.8
[M+H-H2O]+ 164.082390 130.9
[M+HCOO]- 226.083331 160.7
[M+CH3COO]- 240.098981 183.6
[M+Na-2H]- 202.059796 143.7
[M]+ 181.08458142 139.3
[M]- 181.08567858 139.3
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