CID 240531

2,6-diaminopyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C5H6N4O2
SMILES
C1=C(N=C(N=C1N)N)C(=O)O
InChI
InChI=1S/C5H6N4O2/c6-3-1-2(4(10)11)8-5(7)9-3/h1H,(H,10,11)(H4,6,7,8,9)
InChIKey
POUOGOIRZGRDPU-UHFFFAOYSA-N
Compound name
2,6-diaminopyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

154.04907 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.056346 129.5
[M+Na]+ 177.038288 138.3
[M-H]- 153.041794 129.1
[M+NH4]+ 172.082893 146.3
[M+K]+ 193.012228 136.2
[M+H-H2O]+ 137.046330 122.5
[M+HCOO]- 199.047271 151.7
[M+CH3COO]- 213.062921 177.3
[M+Na-2H]- 175.023736 135.2
[M]+ 154.04852142 125.9
[M]- 154.04961858 125.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe