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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	229.073836	148.1
[M+Na]+	251.055778	155.9
[M-H]-	227.059284	152.0
[M+NH4]+	246.100383	162.8
[M+K]+	267.029718	153.6
[M+H-H2O]+	211.063820	139.8
[M+HCOO]-	273.064761	161.6
[M+CH3COO]-	287.080411	186.5
[M+Na-2H]-	249.041226	154.0
[M]+	228.06601142	148.6
[M]-	228.06710858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.