CID 1712553

2,6-dichloro-9-methyl-9h-purine

Structural Information

Molecular Formula

C₆H₄Cl₂N₄

SMILES

CN1C=NC2=C1N=C(N=C2Cl)Cl

InChI

InChI=1S/C6H4Cl2N4/c1-12-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3

InChIKey

HWMJNDVUIMQFEW-UHFFFAOYSA-N

Compound name

2,6-dichloro-9-methylpurine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 371
Patents: 201.98131 Da
Monoisotopic Mass: 2.0
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]+	202.98859	135.2
[M+Na]+	224.97053	152.0
[M+NH4]+	220.01513	143.8
[M+K]+	240.94447	146.1
[M-H]-	200.97403	135.7
[M+Na-2H]-	222.95598	142.6
[M]+	201.98076	138.3
[M]-	201.98186	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe