CID 22718306

2171915-58-3

Structural Information

Molecular Formula

C₁₃H₁₇N₃O

SMILES

C1CN(CCN1)CCOC2=CC=CC=C2C#N

InChI

InChI=1S/C13H17N3O/c14-11-12-3-1-2-4-13(12)17-10-9-16-7-5-15-6-8-16/h1-4,15H,5-10H2

InChIKey

KXKUMYVAUIKHME-UHFFFAOYSA-N

Compound name

2-(2-piperazin-1-ylethoxy)benzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 231.13716 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]+	232.14444	158.3
[M+Na]+	254.12638	169.7
[M+NH4]+	249.17098	162.4
[M+K]+	270.10032	159.4
[M-H]-	230.12988	153.4
[M+Na-2H]-	252.11183	162.1
[M]+	231.13661	157.6
[M]-	231.13771	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe