CID 24688908

2-chloro-6-(cyclohexyloxy)pyrazine

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O

SMILES

C1CCC(CC1)OC2=CN=CC(=N2)Cl

InChI

InChI=1S/C10H13ClN2O/c11-9-6-12-7-10(13-9)14-8-4-2-1-3-5-8/h6-8H,1-5H2

InChIKey

DUDGGTHYIYRRCI-UHFFFAOYSA-N

Compound name

2-chloro-6-cyclohexyloxypyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 212.07164 Da
Monoisotopic Mass: 2.9
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]+	213.07892	144.5
[M+Na]+	235.06086	151.3
[M-H]-	211.06436	147.3
[M+NH4]+	230.10546	160.8
[M+K]+	251.03480	147.4
[M+H-H2O]+	195.06890	136.2
[M+HCOO]-	257.06984	158.7
[M+CH3COO]-	271.08549	156.0
[M+Na-2H]-	233.04631	150.4
[M]+	212.07109	142.5
[M]-	212.07219	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe