CID 30976

2,6-diaminopurine

Structural Information

Molecular Formula

C₅H₆N₆

SMILES

C1=NC2=NC(=NC(=C2N1)N)N

InChI

InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)

InChIKey

MSSXOMSJDRHRMC-UHFFFAOYSA-N

Compound name

7H-purine-2,6-diamine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 273
References: 86676
Patents: 150.0654 Da
Monoisotopic Mass: -0.9
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]+	151.07268	127.1
[M+Na]+	173.05462	138.7
[M-H]-	149.05812	125.7
[M+NH4]+	168.09922	144.6
[M+K]+	189.02856	134.5
[M+H-H2O]+	133.06266	119.3
[M+HCOO]-	195.06360	149.3
[M+CH3COO]-	209.07925	140.2
[M+Na-2H]-	171.04007	136.1
[M]+	150.06485	124.4
[M]-	150.06595	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe