CID 84071002

2-(dimethylamino)-5-methoxypyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C8H11N3O3
SMILES
CN(C)C1=NC=C(C(=N1)C(=O)O)OC
InChI
InChI=1S/C8H11N3O3/c1-11(2)8-9-4-5(14-3)6(10-8)7(12)13/h4H,1-3H3,(H,12,13)
InChIKey
DJJSRRNSBRNFPH-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-5-methoxypyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.08005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.08733 140.1
[M+Na]+ 220.06927 148.6
[M-H]- 196.07277 141.8
[M+NH4]+ 215.11387 156.7
[M+K]+ 236.04321 148.5
[M+H-H2O]+ 180.07731 132.6
[M+HCOO]- 242.07825 162.4
[M+CH3COO]- 256.09390 187.9
[M+Na-2H]- 218.05472 145.5
[M]+ 197.07950 143.1
[M]- 197.08060 143.1
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.