CID 45788833

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04762 136.1
[M+Na]+ 207.02956 144.8
[M-H]- 183.03306 140.3
[M+NH4]+ 202.07416 154.3
[M+K]+ 223.00350 142.5
[M+H-H2O]+ 167.03760 128.6
[M+HCOO]- 229.03854 152.2
[M+CH3COO]- 243.05419 149.4
[M+Na-2H]- 205.01501 142.0
[M]+ 184.03979 136.1
[M]- 184.04089 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.