CID 25200479

6-(n-isopent-2-enyl-n-methylamino)-purine

Structural Information

Molecular Formula

C₁₂H₁₆N₄

SMILES

CC(CC=C(C)C)C1=C2C(=NC=N1)N=CN2

InChI

InChI=1S/C12H16N4/c1-8(2)4-5-9(3)10-11-12(15-6-13-10)16-7-14-11/h4,6-7,9H,5H2,1-3H3,(H,13,14,15,16)

InChIKey

ARJBIAHZHYEFJG-UHFFFAOYSA-N

Compound name

6-(5-methylhex-4-en-2-yl)-7H-purine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 216.1375 Da
Monoisotopic Mass: 2.7
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]+	217.144776	151.5
[M+Na]+	239.126718	160.5
[M-H]-	215.130224	149.6
[M+NH4]+	234.171323	167.0
[M+K]+	255.100658	155.9
[M+H-H2O]+	199.134760	142.8
[M+HCOO]-	261.135701	168.5
[M+CH3COO]-	275.151351	187.3
[M+Na-2H]-	237.112166	155.9
[M]+	216.13695142	152.0
[M]-	216.13804858	152.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.