CID 95121

9-cyclohexyladenine

Structural Information

Molecular Formula

C₁₁H₁₅N₅

SMILES

C1CCC(CC1)N2C=NC3=C(N=CN=C32)N

InChI

InChI=1S/C11H15N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,14)

InChIKey

FRZBEYVOLNQETR-UHFFFAOYSA-N

Compound name

9-cyclohexylpurin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 18
Patents: 217.13275 Da
Monoisotopic Mass: 1.7
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]+	218.14003	147.6
[M+Na]+	240.12197	160.6
[M+NH4]+	235.16657	155.6
[M+K]+	256.09591	155.9
[M-H]-	216.12547	150.4
[M+Na-2H]-	238.10742	154.8
[M]+	217.13220	150.0
[M]-	217.13330	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe