CID 459813

81633-29-6

Structural Information

Molecular Formula
C8H11N3O2
SMILES
CCOC(=O)C1=CN=C(N=C1C)N
InChI
InChI=1S/C8H11N3O2/c1-3-13-7(12)6-4-10-8(9)11-5(6)2/h4H,3H2,1-2H3,(H2,9,10,11)
InChIKey
YBFVMJRSZCVJJP-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-methylpyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

79
Patents

181.08513 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 138.3
[M+Na]+ 204.07435 147.3
[M-H]- 180.07785 139.4
[M+NH4]+ 199.11895 155.5
[M+K]+ 220.04829 145.8
[M+H-H2O]+ 164.08239 130.9
[M+HCOO]- 226.08333 160.7
[M+CH3COO]- 240.09898 183.6
[M+Na-2H]- 202.05980 143.7
[M]+ 181.08458 139.3
[M]- 181.08568 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

literature stripe

Patent stripe

patents stripe