CID 18186849

2-chloro-6-(prop-2-yn-1-yloxy)pyrazine

Structural Information

Molecular Formula

C₇H₅ClN₂O

SMILES

C#CCOC1=CN=CC(=N1)Cl

InChI

InChI=1S/C7H5ClN2O/c1-2-3-11-7-5-9-4-6(8)10-7/h1,4-5H,3H2

InChIKey

WBVIVIOAWVQYNO-UHFFFAOYSA-N

Compound name

2-chloro-6-prop-2-ynoxypyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 168.00903 Da
Monoisotopic Mass: 1.8
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]+	169.01631	126.8
[M+Na]+	190.99825	138.6
[M-H]-	167.00175	126.0
[M+NH4]+	186.04285	143.2
[M+K]+	206.97219	134.3
[M+H-H2O]+	151.00629	114.1
[M+HCOO]-	213.00723	139.6
[M+CH3COO]-	227.02288	184.7
[M+Na-2H]-	188.98370	134.0
[M]+	168.00848	124.0
[M]-	168.00958	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe