CID 67363

148-69-6

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

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

InChI

InChI=1S/C12H16N2/c1-3-14(9-5-8-13)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,9H2,1-2H3

InChIKey

NPCCPMHHNIOSHL-UHFFFAOYSA-N

Compound name

3-(N-ethyl-3-methylanilino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 154
Patents: 188.13135 Da
Monoisotopic Mass: 2.9
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]+	189.13863	145.5
[M+Na]+	211.12057	157.3
[M+NH4]+	206.16517	150.9
[M+K]+	227.09451	146.9
[M-H]-	187.12407	141.6
[M+Na-2H]-	209.10602	150.1
[M]+	188.13080	145.3
[M]-	188.13190	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe