CID 2760441

306935-30-8

Structural Information

Molecular Formula

C₉H₁₁N₅

SMILES

C1CN(CCN1)C2=NC=CN=C2C#N

InChI

InChI=1S/C9H11N5/c10-7-8-9(13-2-1-12-8)14-5-3-11-4-6-14/h1-2,11H,3-6H2

InChIKey

WPPOBKHQDPIZPS-UHFFFAOYSA-N

Compound name

3-piperazin-1-ylpyrazine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 189.10144 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]+	190.10872	138.1
[M+Na]+	212.09066	145.5
[M-H]-	188.09416	135.6
[M+NH4]+	207.13526	149.0
[M+K]+	228.06460	141.0
[M+H-H2O]+	172.09870	121.3
[M+HCOO]-	234.09964	149.4
[M+CH3COO]-	248.11529	146.6
[M+Na-2H]-	210.07611	144.1
[M]+	189.10089	126.7
[M]-	189.10199	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe