CID 2741922

92043-13-5

Structural Information

Molecular Formula

C₁₃H₁₇N₃O

SMILES

COC1=CC=CC=C1N2CCN(CC2)CC#N

InChI

InChI=1S/C13H17N3O/c1-17-13-5-3-2-4-12(13)16-10-8-15(7-6-14)9-11-16/h2-5H,7-11H2,1H3

InChIKey

CMNAMTJQXKKSGP-UHFFFAOYSA-N

Compound name

2-[4-(2-methoxyphenyl)piperazin-1-yl]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 231.13716 Da
Monoisotopic Mass: 1.6
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	156.6
[M+Na]+	254.12638	168.8
[M+NH4]+	249.17098	161.1
[M+K]+	270.10032	158.6
[M-H]-	230.12988	152.2
[M+Na-2H]-	252.11183	160.8
[M]+	231.13661	156.2
[M]-	231.13771	156.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.