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 147.7
[M+Na]+ 251.05578 162.2
[M+NH4]+ 246.10038 156.1
[M+K]+ 267.02972 155.4
[M-H]- 227.05928 152.1
[M+Na-2H]- 249.04123 155.0
[M]+ 228.06601 151.3
[M]- 228.06711 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.