CID 81797712

1556142-23-4

Structural Information

Molecular Formula

C₉H₈N₄

SMILES

CN(CC#C)C1=NC=C(N=C1)C#N

InChI

InChI=1S/C9H8N4/c1-3-4-13(2)9-7-11-8(5-10)6-12-9/h1,6-7H,4H2,2H3

InChIKey

YFXLWALNUCXTLY-UHFFFAOYSA-N

Compound name

5-[methyl(prop-2-ynyl)amino]pyrazine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.07489 Da
Monoisotopic Mass: 0.4
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]+	173.08217	165.1
[M+Na]+	195.06411	174.1
[M+NH4]+	190.10871	165.5
[M+K]+	211.03805	163.7
[M-H]-	171.06761	154.7
[M+Na-2H]-	193.04956	164.8
[M]+	172.07434	162.2
[M]-	172.07544	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.