CID 43439447

2-[(piperazin-1-yl)methyl]pyrazine

Structural Information

Molecular Formula

C₉H₁₄N₄

SMILES

C1CN(CCN1)CC2=NC=CN=C2

InChI

InChI=1S/C9H14N4/c1-2-12-9(7-11-1)8-13-5-3-10-4-6-13/h1-2,7,10H,3-6,8H2

InChIKey

UMSBILFYXUYRGS-UHFFFAOYSA-N

Compound name

2-(piperazin-1-ylmethyl)pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 178.12184 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]+	179.129116	141.6
[M+Na]+	201.111058	146.9
[M-H]-	177.114564	140.1
[M+NH4]+	196.155663	154.6
[M+K]+	217.084998	143.0
[M+H-H2O]+	161.119100	131.4
[M+HCOO]-	223.120041	156.3
[M+CH3COO]-	237.135691	151.4
[M+Na-2H]-	199.096506	148.8
[M]+	178.12129142	134.7
[M]-	178.12238858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe