CID 27515

N-nitrosophenacetin

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

CCOC1=CC=C(C=C1)N(C(=O)C)N=O

InChI

InChI=1S/C10H12N2O3/c1-3-15-10-6-4-9(5-7-10)12(11-14)8(2)13/h4-7H,3H2,1-2H3

InChIKey

ANFMPQMRMNEDCD-UHFFFAOYSA-N

Compound name

N-(4-ethoxyphenyl)-N-nitrosoacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 208.0848 Da
Monoisotopic Mass: 1.3
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]+	209.092076	143.0
[M+Na]+	231.074018	150.0
[M-H]-	207.077524	149.7
[M+NH4]+	226.118623	162.6
[M+K]+	247.047958	151.0
[M+H-H2O]+	191.082060	135.8
[M+HCOO]-	253.083001	171.4
[M+CH3COO]-	267.098651	195.9
[M+Na-2H]-	229.059466	149.1
[M]+	208.08425142	147.5
[M]-	208.08534858	147.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.