CID 138040322

4-chloro-6-methoxy-2-(oxan-4-yl)pyrimidine

Structural Information

Molecular Formula
C10H13ClN2O2
SMILES
COC1=CC(=NC(=N1)C2CCOCC2)Cl
InChI
InChI=1S/C10H13ClN2O2/c1-14-9-6-8(11)12-10(13-9)7-2-4-15-5-3-7/h6-7H,2-5H2,1H3
InChIKey
DSNAVYRYRWDMCH-UHFFFAOYSA-N
Compound name
4-chloro-6-methoxy-2-(oxan-4-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.06656 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07384 148.1
[M+Na]+ 251.05578 155.9
[M-H]- 227.05928 152.0
[M+NH4]+ 246.10038 162.8
[M+K]+ 267.02972 153.6
[M+H-H2O]+ 211.06382 139.8
[M+HCOO]- 273.06476 161.6
[M+CH3COO]- 287.08041 186.5
[M+Na-2H]- 249.04123 154.0
[M]+ 228.06601 148.6
[M]- 228.06711 148.6
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.