CID 135538720

125962-37-0

Structural Information

Molecular Formula

C₁₀H₁₃N₅O₂

SMILES

C1C(CC1N2C=NC3=C2N=C(NC3=O)N)CO

InChI

InChI=1S/C10H13N5O2/c11-10-13-8-7(9(17)14-10)12-4-15(8)6-1-5(2-6)3-16/h4-6,16H,1-3H2,(H3,11,13,14,17)

InChIKey

UMHYNECKSWGZMS-UHFFFAOYSA-N

Compound name

2-amino-9-[3-(hydroxymethyl)cyclobutyl]-1H-purin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 32
Patents: 235.10692 Da
Monoisotopic Mass: -0.8
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]+	236.11420	153.2
[M+Na]+	258.09614	162.3
[M-H]-	234.09964	153.5
[M+NH4]+	253.14074	160.6
[M+K]+	274.07008	160.4
[M+H-H2O]+	218.10418	139.2
[M+HCOO]-	280.10512	170.1
[M+CH3COO]-	294.12077	191.8
[M+Na-2H]-	256.08159	156.8
[M]+	235.10637	160.4
[M]-	235.10747	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe