CID 45480354

(7h-purin-6-yl)methanamine

Structural Information

Molecular Formula

C₆H₇N₅

SMILES

C1=NC2=NC=NC(=C2N1)CN

InChI

InChI=1S/C6H7N5/c7-1-4-5-6(10-2-8-4)11-3-9-5/h2-3H,1,7H2,(H,8,9,10,11)

InChIKey

FELHYNZKVDMRSU-UHFFFAOYSA-N

Compound name

7H-purin-6-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 149.07014 Da
Monoisotopic Mass: -1.0
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	127.6
[M+Na]+	172.05936	138.7
[M-H]-	148.06286	126.0
[M+NH4]+	167.10396	145.4
[M+K]+	188.03330	134.7
[M+H-H2O]+	132.06740	119.5
[M+HCOO]-	194.06834	149.0
[M+CH3COO]-	208.08399	140.7
[M+Na-2H]-	170.04481	137.3
[M]+	149.06959	126.5
[M]-	149.07069	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe