CID 846079

2-cyano-n-(3-methoxyphenyl)acetamide

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

COC1=CC=CC(=C1)NC(=O)CC#N

InChI

InChI=1S/C10H10N2O2/c1-14-9-4-2-3-8(7-9)12-10(13)5-6-11/h2-4,7H,5H2,1H3,(H,12,13)

InChIKey

HUCXLSDKVSJQEW-UHFFFAOYSA-N

Compound name

2-cyano-N-(3-methoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.07423 Da
Monoisotopic Mass: 1.7
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]+	191.081506	142.3
[M+Na]+	213.063448	151.4
[M-H]-	189.066954	145.6
[M+NH4]+	208.108053	159.6
[M+K]+	229.037388	149.1
[M+H-H2O]+	173.071490	129.6
[M+HCOO]-	235.072431	163.4
[M+CH3COO]-	249.088081	196.8
[M+Na-2H]-	211.048896	147.7
[M]+	190.07368142	138.3
[M]-	190.07477858	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.