CID 16227099

3-methyl-2-(piperazin-1-yl)butanenitrile

Structural Information

Molecular Formula

C₉H₁₇N₃

SMILES

CC(C)C(C#N)N1CCNCC1

InChI

InChI=1S/C9H17N3/c1-8(2)9(7-10)12-5-3-11-4-6-12/h8-9,11H,3-6H2,1-2H3

InChIKey

YNRKRSARIUEUAT-UHFFFAOYSA-N

Compound name

3-methyl-2-piperazin-1-ylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 167.14224 Da
Monoisotopic Mass: 0.8
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]+	168.14952	142.6
[M+Na]+	190.13146	151.5
[M+NH4]+	185.17606	146.5
[M+K]+	206.10540	143.5
[M-H]-	166.13496	135.4
[M+Na-2H]-	188.11691	143.7
[M]+	167.14169	140.7
[M]-	167.14279	140.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.