CID 11804891

2-chloro-3-methoxypyrazine

Structural Information

Molecular Formula

C₅H₅ClN₂O

SMILES

COC1=NC=CN=C1Cl

InChI

InChI=1S/C5H5ClN2O/c1-9-5-4(6)7-2-3-8-5/h2-3H,1H3

InChIKey

PUMFABSDZOUISK-UHFFFAOYSA-N

Compound name

2-chloro-3-methoxypyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 342
Patents: 144.00903 Da
Monoisotopic Mass: 1.0
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]+	145.01631	123.1
[M+Na]+	166.99825	138.1
[M+NH4]+	162.04285	132.0
[M+K]+	182.97219	131.3
[M-H]-	143.00175	124.4
[M+Na-2H]-	164.98370	131.5
[M]+	144.00848	125.9
[M]-	144.00958	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe