CID 67955

443-72-1

Structural Information

Molecular Formula

C₆H₇N₅

SMILES

CNC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)

InChIKey

CKOMXBHMKXXTNW-UHFFFAOYSA-N

Compound name

N-methyl-7H-purin-6-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 471
References: 29989
Patents: 149.07014 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]+	150.07742	126.9
[M+Na]+	172.05936	139.9
[M+NH4]+	167.10396	134.4
[M+K]+	188.03330	136.2
[M-H]-	148.06286	127.1
[M+Na-2H]-	170.04481	134.0
[M]+	149.06959	128.6
[M]-	149.07069	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe