CID 12852

9-cyclopentyladenine

Structural Information

Molecular Formula

C₁₀H₁₃N₅

SMILES

C1CCC(C1)N2C=NC3=C(N=CN=C32)N

InChI

InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)

InChIKey

KTJWHJNBTXITCB-UHFFFAOYSA-N

Compound name

9-cyclopentylpurin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 21
References: 112
Patents: 203.1171 Da
Monoisotopic Mass: 1.1
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]+	204.12438	142.4
[M+Na]+	226.10632	154.4
[M+NH4]+	221.15092	150.3
[M+K]+	242.08026	152.3
[M-H]-	202.10982	144.5
[M+Na-2H]-	224.09177	149.0
[M]+	203.11655	144.4
[M]-	203.11765	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe