CID 15048

2-methyl-1h-purin-6-amine

Structural Information

Molecular Formula

C₆H₇N₅

SMILES

CC1=NC(=C2C(=N1)N=CN2)N

InChI

InChI=1S/C6H7N5/c1-3-10-5(7)4-6(11-3)9-2-8-4/h2H,1H3,(H3,7,8,9,10,11)

InChIKey

SMADWRYCYBUIKH-UHFFFAOYSA-N

Compound name

2-methyl-7H-purin-6-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 34478
Patents: 149.07014 Da
Monoisotopic Mass: 0.2
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	127.2
[M+Na]+	172.05936	140.3
[M+NH4]+	167.10396	134.6
[M+K]+	188.03330	137.0
[M-H]-	148.06286	127.3
[M+Na-2H]-	170.04481	133.6
[M]+	149.06959	128.9
[M]-	149.07069	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe