CID 286591

9-(3-chloropropyl)-9h-purin-6-amine

Structural Information

Molecular Formula

C₈H₁₀ClN₅

SMILES

C1=NC(=C2C(=N1)N(C=N2)CCCCl)N

InChI

InChI=1S/C8H10ClN5/c9-2-1-3-14-5-13-6-7(10)11-4-12-8(6)14/h4-5H,1-3H2,(H2,10,11,12)

InChIKey

KOHPHILWKWZSJR-UHFFFAOYSA-N

Compound name

9-(3-chloropropyl)purin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 211.06247 Da
Monoisotopic Mass: 0.8
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]+	212.06975	141.4
[M+Na]+	234.05169	155.5
[M+NH4]+	229.09629	149.0
[M+K]+	250.02563	150.4
[M-H]-	210.05519	142.0
[M+Na-2H]-	232.03714	147.9
[M]+	211.06192	143.7
[M]-	211.06302	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe