CID 2735518

1052402-84-2

Structural Information

Molecular Formula
C9H14N4O2
SMILES
CN(C)C1=NC(=NC(=C1)C(=O)O)N(C)C
InChI
InChI=1S/C9H14N4O2/c1-12(2)7-5-6(8(14)15)10-9(11-7)13(3)4/h5H,1-4H3,(H,14,15)
InChIKey
DWPRJVXKQCFURP-UHFFFAOYSA-N
Compound name
2,6-bis(dimethylamino)pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

210.11168 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.118956 145.9
[M+Na]+ 233.100898 153.3
[M-H]- 209.104404 148.9
[M+NH4]+ 228.145503 162.3
[M+K]+ 249.074838 153.8
[M+H-H2O]+ 193.108940 137.8
[M+HCOO]- 255.109881 169.1
[M+CH3COO]- 269.125531 197.4
[M+Na-2H]- 231.086346 150.4
[M]+ 210.11113142 148.3
[M]- 210.11222858 148.3
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