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

0
References

13
Patents

154.04907 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05635 129.5
[M+Na]+ 177.03829 138.3
[M-H]- 153.04179 129.1
[M+NH4]+ 172.08289 146.3
[M+K]+ 193.01223 136.2
[M+H-H2O]+ 137.04633 122.5
[M+HCOO]- 199.04727 151.7
[M+CH3COO]- 213.06292 177.3
[M+Na-2H]- 175.02374 135.2
[M]+ 154.04852 125.9
[M]- 154.04962 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

No literature data available for this compound.

Patent stripe

patents stripe