CID 24689112

2-chloro-6-(propan-2-yloxy)pyrazine

Structural Information

Molecular Formula

C₇H₉ClN₂O

SMILES

CC(C)OC1=CN=CC(=N1)Cl

InChI

InChI=1S/C7H9ClN2O/c1-5(2)11-7-4-9-3-6(8)10-7/h3-5H,1-2H3

InChIKey

JQXBZEQRXQPLOC-UHFFFAOYSA-N

Compound name

2-chloro-6-propan-2-yloxypyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 172.04034 Da
Monoisotopic Mass: 2.4
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	131.5
[M+Na]+	195.029558	141.2
[M-H]-	171.033064	132.5
[M+NH4]+	190.074163	150.2
[M+K]+	211.003498	138.6
[M+H-H2O]+	155.037600	125.1
[M+HCOO]-	217.038541	148.7
[M+CH3COO]-	231.054191	178.5
[M+Na-2H]-	193.015006	138.6
[M]+	172.03979142	134.7
[M]-	172.04088858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe