CID 283276

Ethyl 4-amino-2,6-dimethylpyrimidine-5-carboxylate

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CCOC(=O)C1=C(N=C(N=C1N)C)C
InChI
InChI=1S/C9H13N3O2/c1-4-14-9(13)7-5(2)11-6(3)12-8(7)10/h4H2,1-3H3,(H2,10,11,12)
InChIKey
KIFPRLPWMASBMO-UHFFFAOYSA-N
Compound name
ethyl 4-amino-2,6-dimethylpyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

195.10077 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 142.8
[M+Na]+ 218.08999 152.3
[M-H]- 194.09349 144.1
[M+NH4]+ 213.13459 159.7
[M+K]+ 234.06393 150.5
[M+H-H2O]+ 178.09803 135.5
[M+HCOO]- 240.09897 164.8
[M+CH3COO]- 254.11462 187.8
[M+Na-2H]- 216.07544 146.9
[M]+ 195.10022 144.6
[M]- 195.10132 144.6
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

No patent data available for this compound.