CID 250370

4-pyrimidinamine, 2,5-dimethoxy-

Structural Information

Molecular Formula
C6H9N3O2
SMILES
COC1=CN=C(N=C1N)OC
InChI
InChI=1S/C6H9N3O2/c1-10-4-3-8-6(11-2)9-5(4)7/h3H,1-2H3,(H2,7,8,9)
InChIKey
XOJPOIGPYBYDJF-UHFFFAOYSA-N
Compound name
2,5-dimethoxypyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

164
Patents

155.06947 Da
Monoisotopic Mass

0.1
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

No literature data available for this compound.

Patent stripe

patents stripe