CID 109134

61791-76-2

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

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

InChI

InChI=1S/C12H18N2O2/c1-4-14(5-2)10-7-8-11(13-15)12(9-10)16-6-3/h7-9H,4-6H2,1-3H3

InChIKey

ZGIPPORIRYMMLA-UHFFFAOYSA-N

Compound name

3-ethoxy-N,N-diethyl-4-nitrosoaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 222.13683 Da
Monoisotopic Mass: 2.5
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]+	223.144106	149.9
[M+Na]+	245.126048	156.9
[M-H]-	221.129554	156.4
[M+NH4]+	240.170653	169.4
[M+K]+	261.099988	157.0
[M+H-H2O]+	205.134090	142.5
[M+HCOO]-	267.135031	178.2
[M+CH3COO]-	281.150681	201.8
[M+Na-2H]-	243.111496	155.4
[M]+	222.13628142	155.5
[M]-	222.13737858	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe