CID 11929

N-nitroso-n-ethylaniline

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CCN(C1=CC=CC=C1)N=O

InChI

InChI=1S/C8H10N2O/c1-2-10(9-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

WXRXVZXYLBWKRG-UHFFFAOYSA-N

Compound name

N-ethyl-N-phenylnitrous amide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 112
Patents: 150.07932 Da
Monoisotopic Mass: 2.1
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]+	151.08660	130.2
[M+Na]+	173.06854	142.2
[M+NH4]+	168.11314	139.3
[M+K]+	189.04248	135.7
[M-H]-	149.07204	134.3
[M+Na-2H]-	171.05399	138.9
[M]+	150.07877	132.9
[M]-	150.07987	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe