CID 5270

17318-31-9

Structural Information

Molecular Formula

C₉H₁₁N₅O

SMILES

C1CC(OC1)N2C=NC3=C(N=CN=C32)N

InChI

InChI=1S/C9H11N5O/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-15-6/h4-6H,1-3H2,(H2,10,11,12)

InChIKey

UKHMZCMKHPHFOT-UHFFFAOYSA-N

Compound name

9-(oxolan-2-yl)purin-6-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 337
References: 199
Patents: 205.09636 Da
Monoisotopic Mass: 0.4
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]+	206.10364	141.3
[M+Na]+	228.08558	153.5
[M+NH4]+	223.13018	148.7
[M+K]+	244.05952	152.5
[M-H]-	204.08908	144.3
[M+Na-2H]-	226.07103	147.2
[M]+	205.09581	143.7
[M]-	205.09691	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe