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: 9
Patents: 154.04907 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.05635	128.7
[M+Na]+	177.03829	138.6
[M+NH4]+	172.08289	134.5
[M+K]+	193.01223	135.9
[M-H]-	153.04179	128.6
[M+Na-2H]-	175.02374	133.4
[M]+	154.04852	129.5
[M]-	154.04962	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe