CID 53385562

932701-88-7

Structural Information

Molecular Formula

C₇H₉ClN₂O

SMILES

CCOC1=NC(=CC(=N1)Cl)C

InChI

InChI=1S/C7H9ClN2O/c1-3-11-7-9-5(2)4-6(8)10-7/h4H,3H2,1-2H3

InChIKey

CPYZAFWHMIBYNN-UHFFFAOYSA-N

Compound name

4-chloro-2-ethoxy-6-methylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.04034 Da
Monoisotopic Mass: 2.2
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]+	173.047616	131.4
[M+Na]+	195.029558	142.3
[M-H]-	171.033064	132.7
[M+NH4]+	190.074163	150.6
[M+K]+	211.003498	139.3
[M+H-H2O]+	155.037600	125.2
[M+HCOO]-	217.038541	149.6
[M+CH3COO]-	231.054191	178.8
[M+Na-2H]-	193.015006	139.0
[M]+	172.03979142	135.6
[M]-	172.04088858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.