CID 71593

7-methyladenine

Structural Information

Molecular Formula

C₆H₇N₅

SMILES

CN1C=NC2=NC=NC(=C21)N

InChI

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

InChIKey

HCGHYQLFMPXSDU-UHFFFAOYSA-N

Compound name

7-methylpurin-6-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 25638
Patents: 149.07014 Da
Monoisotopic Mass: 0.1
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	128.1
[M+Na]+	172.05936	140.5
[M-H]-	148.06286	128.2
[M+NH4]+	167.10396	146.9
[M+K]+	188.03330	137.3
[M+H-H2O]+	132.06740	120.0
[M+HCOO]-	194.06834	150.9
[M+CH3COO]-	208.08399	142.2
[M+Na-2H]-	170.04481	137.3
[M]+	149.06959	129.2
[M]-	149.07069	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe