CID 283276

Ethyl 4-amino-2,6-dimethyl-5-pyrimidinecarboxylate

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

20
Patents

195.10077 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.108046 142.8
[M+Na]+ 218.089988 152.3
[M-H]- 194.093494 144.1
[M+NH4]+ 213.134593 159.7
[M+K]+ 234.063928 150.5
[M+H-H2O]+ 178.098030 135.5
[M+HCOO]- 240.098971 164.8
[M+CH3COO]- 254.114621 187.8
[M+Na-2H]- 216.075436 146.9
[M]+ 195.10022142 144.6
[M]- 195.10131858 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

patents stripe