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

3
Annotation Hits: 0
References: 151
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]+	151.086596	128.7
[M+Na]+	173.068538	135.7
[M-H]-	149.072044	135.3
[M+NH4]+	168.113143	150.5
[M+K]+	189.042478	136.2
[M+H-H2O]+	133.076580	122.0
[M+HCOO]-	195.077521	158.1
[M+CH3COO]-	209.093171	185.3
[M+Na-2H]-	171.053986	137.9
[M]+	150.07877142	130.7
[M]-	150.07986858	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe