CID 69689

9-methyladenine

Structural Information

Molecular Formula

C₆H₇N₅

SMILES

CN1C=NC2=C(N=CN=C21)N

InChI

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

InChIKey

WRXCXOUDSPTXNX-UHFFFAOYSA-N

Compound name

9-methylpurin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 110
References: 4111
Patents: 149.07014 Da
Monoisotopic Mass: 0.0
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]+	150.07742	126.9
[M+Na]+	172.05936	140.5
[M+NH4]+	167.10396	134.6
[M+K]+	188.03330	136.9
[M-H]-	148.06286	127.5
[M+Na-2H]-	170.04481	133.9
[M]+	149.06959	128.8
[M]-	149.07069	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe