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

6
Annotation Hits: 54
References: 4740
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	145.6
[M+Na]+	211.12057	153.0
[M-H]-	187.12407	148.2
[M+NH4]+	206.16517	162.9
[M+K]+	227.09451	149.6
[M+H-H2O]+	171.12861	132.7
[M+HCOO]-	233.12955	165.5
[M+CH3COO]-	247.14520	199.0
[M+Na-2H]-	209.10602	150.7
[M]+	188.13080	140.1
[M]-	188.13190	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe