CID 573244

Ortho-formophenetidide

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CCOC1=CC=CC=C1NC=O

InChI

InChI=1S/C9H11NO2/c1-2-12-9-6-4-3-5-8(9)10-7-11/h3-7H,2H2,1H3,(H,10,11)

InChIKey

HPOVOZXVSDQDGY-UHFFFAOYSA-N

Compound name

N-(2-ethoxyphenyl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 20
Patents: 165.07898 Da
Monoisotopic Mass: 1.5
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]+	166.086256	132.5
[M+Na]+	188.068198	140.2
[M-H]-	164.071704	136.3
[M+NH4]+	183.112803	153.0
[M+K]+	204.042138	138.7
[M+H-H2O]+	148.076240	126.5
[M+HCOO]-	210.077181	158.8
[M+CH3COO]-	224.092831	180.4
[M+Na-2H]-	186.053646	140.3
[M]+	165.07843142	134.2
[M]-	165.07952858	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe