CID 385208

Nsc676321

Structural Information

Molecular Formula

C₉H₁₃ClN₄O

SMILES

C1CC(C1)(CO)NC2=CC(=NC(=N2)N)Cl

InChI

InChI=1S/C9H13ClN4O/c10-6-4-7(13-8(11)12-6)14-9(5-15)2-1-3-9/h4,15H,1-3,5H2,(H3,11,12,13,14)

InChIKey

GIYFSAHJYWOWSJ-UHFFFAOYSA-N

Compound name

[1-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclobutyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 228.07779 Da
Monoisotopic Mass: 1.2
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]+	229.08507	148.1
[M+Na]+	251.06701	155.0
[M-H]-	227.07051	150.2
[M+NH4]+	246.11161	158.5
[M+K]+	267.04095	153.6
[M+H-H2O]+	211.07505	135.9
[M+HCOO]-	273.07599	163.8
[M+CH3COO]-	287.09164	192.4
[M+Na-2H]-	249.05246	154.1
[M]+	228.07724	154.8
[M]-	228.07834	154.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.