CID 45788833

1159814-17-1

Structural Information

Molecular Formula

C₈H₉ClN₂O

SMILES

C1COCC1C2=NC=CC(=N2)Cl

InChI

InChI=1S/C8H9ClN2O/c9-7-1-3-10-8(11-7)6-2-4-12-5-6/h1,3,6H,2,4-5H2

InChIKey

RTKXLRUEBUNMHB-UHFFFAOYSA-N

Compound name

4-chloro-2-(oxolan-3-yl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.04034 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]+	185.04762	135.5
[M+Na]+	207.02956	149.5
[M+NH4]+	202.07416	144.6
[M+K]+	223.00350	144.5
[M-H]-	183.03306	139.6
[M+Na-2H]-	205.01501	143.1
[M]+	184.03979	138.9
[M]-	184.04089	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.