CID 33702269

Methyl 2-amino-4-methylpyrimidine-5-carboxylate

Structural Information

Molecular Formula
C7H9N3O2
SMILES
CC1=NC(=NC=C1C(=O)OC)N
InChI
InChI=1S/C7H9N3O2/c1-4-5(6(11)12-2)3-9-7(8)10-4/h3H,1-2H3,(H2,8,9,10)
InChIKey
TXAIGQFUQLUQJJ-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-methylpyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06947 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.076746 133.7
[M+Na]+ 190.058688 143.1
[M-H]- 166.062194 135.0
[M+NH4]+ 185.103293 151.5
[M+K]+ 206.032628 141.8
[M+H-H2O]+ 150.066730 126.6
[M+HCOO]- 212.067671 156.4
[M+CH3COO]- 226.083321 180.5
[M+Na-2H]- 188.044136 139.7
[M]+ 167.06892142 134.4
[M]- 167.07001858 134.4
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.