CID 135435072

3-isopentylpurin-6-amine

Structural Information

Molecular Formula

C₁₀H₁₅N₅

SMILES

CC(C)CCN1C=NC(=N)C2=C1N=CN2

InChI

InChI=1S/C10H15N5/c1-7(2)3-4-15-6-14-9(11)8-10(15)13-5-12-8/h5-7,11H,3-4H2,1-2H3,(H,12,13)

InChIKey

PXWNCNFAHDUBDL-UHFFFAOYSA-N

Compound name

3-(3-methylbutyl)-7H-purin-6-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 205.13275 Da
Monoisotopic Mass: 1.5
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]+	206.14003	146.4
[M+Na]+	228.12197	156.5
[M-H]-	204.12547	145.1
[M+NH4]+	223.16657	162.4
[M+K]+	244.09591	151.8
[M+H-H2O]+	188.13001	137.9
[M+HCOO]-	250.13095	166.2
[M+CH3COO]-	264.14660	158.2
[M+Na-2H]-	226.10742	152.9
[M]+	205.13220	146.7
[M]-	205.13330	146.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.