CID 61286565

4-chloro-6-(oxan-4-yloxy)pyrimidine

Structural Information

Molecular Formula
C9H11ClN2O2
SMILES
C1COCCC1OC2=CC(=NC=N2)Cl
InChI
InChI=1S/C9H11ClN2O2/c10-8-5-9(12-6-11-8)14-7-1-3-13-4-2-7/h5-7H,1-4H2
InChIKey
JBBCTAXBMXZBPK-UHFFFAOYSA-N
Compound name
4-chloro-6-(oxan-4-yloxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0509 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.058176 143.2
[M+Na]+ 237.040118 150.4
[M-H]- 213.043624 146.9
[M+NH4]+ 232.084723 158.1
[M+K]+ 253.014058 148.4
[M+H-H2O]+ 197.048160 134.9
[M+HCOO]- 259.049101 157.0
[M+CH3COO]- 273.064751 155.1
[M+Na-2H]- 235.025566 150.3
[M]+ 214.05035142 142.9
[M]- 214.05144858 142.9
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.