CID 61810

Fenproporex

Structural Information

Molecular Formula

C₁₂H₁₆N₂

SMILES

CC(CC1=CC=CC=C1)NCCC#N

InChI

InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3

InChIKey

IQUFSXIQAFPIMR-UHFFFAOYSA-N

Compound name

3-(1-phenylpropan-2-ylamino)propanenitrile

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 54
References: 4668
Patents: 188.13135 Da
Monoisotopic Mass: 1.9
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	147.4
[M+Na]+	211.12057	158.3
[M+NH4]+	206.16517	152.5
[M+K]+	227.09451	148.0
[M-H]-	187.12407	143.0
[M+Na-2H]-	209.10602	151.5
[M]+	188.13080	146.8
[M]-	188.13190	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe