CID 89308

4h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula

C₅H₅N₅

SMILES

C1=C2C(N=CN=C2N=N1)N

InChI

InChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2,4H,6H2

InChIKey

VAOHIJMLMILFFA-UHFFFAOYSA-N

Compound name

4H-pyrazolo[3,4-d]pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 135.05449 Da
Monoisotopic Mass: -1.0
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]+	136.06177	123.3
[M+Na]+	158.04371	135.9
[M+NH4]+	153.08831	131.1
[M+K]+	174.01765	132.5
[M-H]-	134.04721	123.7
[M+Na-2H]-	156.02916	129.9
[M]+	135.05394	125.0
[M]-	135.05504	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe