CID 7670

N-ethylaniline

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

CCNC1=CC=CC=C1

InChI

InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3

InChIKey

OJGMBLNIHDZDGS-UHFFFAOYSA-N

Compound name

N-ethylaniline

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 30
References: 39325
Patents: 121.08915 Da
Monoisotopic Mass: 2.2
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]+	122.096426	123.0
[M+Na]+	144.078368	130.0
[M-H]-	120.081874	126.7
[M+NH4]+	139.122973	145.2
[M+K]+	160.052308	128.4
[M+H-H2O]+	104.086410	117.5
[M+HCOO]-	166.087351	149.0
[M+CH3COO]-	180.103001	173.2
[M+Na-2H]-	142.063816	132.2
[M]+	121.08860142	121.8
[M]-	121.08969858	121.8

Literature stripe

literature stripe

Patent stripe

patents stripe