CID 66284806

Methyl 4-(methylamino)pyrimidine-2-carboxylate

Structural Information

Molecular Formula
C7H9N3O2
SMILES
CNC1=NC(=NC=C1)C(=O)OC
InChI
InChI=1S/C7H9N3O2/c1-8-5-3-4-9-6(10-5)7(11)12-2/h3-4H,1-2H3,(H,8,9,10)
InChIKey
UIWJCWXRJLOTTI-UHFFFAOYSA-N
Compound name
methyl 4-(methylamino)pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

167.06947 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 133.2
[M+Na]+ 190.05869 141.6
[M-H]- 166.06219 134.6
[M+NH4]+ 185.10329 150.9
[M+K]+ 206.03263 140.7
[M+H-H2O]+ 150.06673 125.7
[M+HCOO]- 212.06767 156.5
[M+CH3COO]- 226.08332 180.0
[M+Na-2H]- 188.04414 141.0
[M]+ 167.06892 134.5
[M]- 167.07002 134.5
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