CID 113349

92-64-8

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

C1=CC=C(C=C1)N(CCC#N)CCO

InChI

InChI=1S/C11H14N2O/c12-7-4-8-13(9-10-14)11-5-2-1-3-6-11/h1-3,5-6,14H,4,8-10H2

InChIKey

WZJJWQVBLSPALW-UHFFFAOYSA-N

Compound name

3-[N-(2-hydroxyethyl)anilino]propanenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 273
Patents: 190.11061 Da
Monoisotopic Mass: 1.4
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]+	191.11789	146.0
[M+Na]+	213.09983	156.7
[M+NH4]+	208.14443	150.7
[M+K]+	229.07377	147.1
[M-H]-	189.10333	141.2
[M+Na-2H]-	211.08528	150.0
[M]+	190.11006	145.2
[M]-	190.11116	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe