CID 412529

1049712-77-7

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CCCNCC(=O)NC1=CC=CC=C1C

InChI

InChI=1S/C12H18N2O/c1-3-8-13-9-12(15)14-11-7-5-4-6-10(11)2/h4-7,13H,3,8-9H2,1-2H3,(H,14,15)

InChIKey

PRKBTCCRGMGZOF-UHFFFAOYSA-N

Compound name

N-(2-methylphenyl)-2-(propylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 206.1419 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]+	207.149176	148.2
[M+Na]+	229.131118	153.6
[M-H]-	205.134624	151.5
[M+NH4]+	224.175723	166.7
[M+K]+	245.105058	151.2
[M+H-H2O]+	189.139160	141.4
[M+HCOO]-	251.140101	173.2
[M+CH3COO]-	265.155751	192.6
[M+Na-2H]-	227.116566	153.4
[M]+	206.14135142	148.0
[M]-	206.14244858	148.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.