CID 106199

Einecs 267-872-4

Structural Information

Molecular Formula

C₁₃H₁₇N₃O₂

SMILES

CC(=O)NC1=CC(=C(C=C1)OC)N(C)CCC#N

InChI

InChI=1S/C13H17N3O2/c1-10(17)15-11-5-6-13(18-3)12(9-11)16(2)8-4-7-14/h5-6,9H,4,8H2,1-3H3,(H,15,17)

InChIKey

YQSUXMCLIUGHKF-UHFFFAOYSA-N

Compound name

N-[3-[2-cyanoethyl(methyl)amino]-4-methoxyphenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 247.13208 Da
Monoisotopic Mass: 0.9
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]+	248.139356	158.8
[M+Na]+	270.121298	166.5
[M-H]-	246.124804	162.9
[M+NH4]+	265.165903	174.3
[M+K]+	286.095238	165.2
[M+H-H2O]+	230.129340	145.0
[M+HCOO]-	292.130281	180.1
[M+CH3COO]-	306.145931	213.6
[M+Na-2H]-	268.106746	161.4
[M]+	247.13153142	156.4
[M]-	247.13262858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.