CID 76789

4-amino-2,6-dimethoxypyrimidine

Structural Information

Molecular Formula
C6H9N3O2
SMILES
COC1=NC(=NC(=C1)N)OC
InChI
InChI=1S/C6H9N3O2/c1-10-5-3-4(7)8-6(9-5)11-2/h3H,1-2H3,(H2,7,8,9)
InChIKey
LNTJJKHTAZFVJJ-UHFFFAOYSA-N
Compound name
2,6-dimethoxypyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

293
Patents

155.06947 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.07675 129.8
[M+Na]+ 178.05869 139.5
[M-H]- 154.06219 131.0
[M+NH4]+ 173.10329 148.1
[M+K]+ 194.03263 138.6
[M+H-H2O]+ 138.06673 122.6
[M+HCOO]- 200.06767 153.6
[M+CH3COO]- 214.08332 178.2
[M+Na-2H]- 176.04414 137.5
[M]+ 155.06892 131.5
[M]- 155.07002 131.5
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