CID 135435070

3h-purin-6-amine, 3-pentyl-

Structural Information

Molecular Formula

C₁₀H₁₅N₅

SMILES

CCCCCN1C=NC(=N)C2=C1N=CN2

InChI

InChI=1S/C10H15N5/c1-2-3-4-5-15-7-14-9(11)8-10(15)13-6-12-8/h6-7,11H,2-5H2,1H3,(H,12,13)

InChIKey

JUJGAOQCDIRJSW-UHFFFAOYSA-N

Compound name

3-pentyl-7H-purin-6-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 205.13275 Da
Monoisotopic Mass: 1.6
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	145.8
[M+Na]+	228.12197	156.2
[M-H]-	204.12547	144.3
[M+NH4]+	223.16657	161.9
[M+K]+	244.09591	151.0
[M+H-H2O]+	188.13001	137.2
[M+HCOO]-	250.13095	166.5
[M+CH3COO]-	264.14660	157.7
[M+Na-2H]-	226.10742	153.4
[M]+	205.13220	146.7
[M]-	205.13330	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe