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

2
Patents

184.04034 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.047616 136.1
[M+Na]+ 207.029558 144.8
[M-H]- 183.033064 140.3
[M+NH4]+ 202.074163 154.3
[M+K]+ 223.003498 142.5
[M+H-H2O]+ 167.037600 128.6
[M+HCOO]- 229.038541 152.2
[M+CH3COO]- 243.054191 149.4
[M+Na-2H]- 205.015006 142.0
[M]+ 184.03979142 136.1
[M]- 184.04088858 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

patents stripe