CID 3134

6-dimethylaminopurine

Structural Information

Molecular Formula

C₇H₉N₅

SMILES

CN(C)C1=NC=NC2=C1NC=N2

InChI

InChI=1S/C7H9N5/c1-12(2)7-5-6(9-3-8-5)10-4-11-7/h3-4H,1-2H3,(H,8,9,10,11)

InChIKey

BVIAOQMSVZHOJM-UHFFFAOYSA-N

Compound name

N,N-dimethyl-7H-purin-6-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 340
References: 7884
Patents: 163.0858 Da
Monoisotopic Mass: 0.7
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]+	164.09308	131.1
[M+Na]+	186.07502	144.1
[M+NH4]+	181.11962	138.6
[M+K]+	202.04896	140.6
[M-H]-	162.07852	131.5
[M+Na-2H]-	184.06047	138.2
[M]+	163.08525	132.8
[M]-	163.08635	132.8

Literature stripe

literature stripe

Patent stripe

patents stripe