CID 11475

3-ethylaniline

Structural Information

Molecular Formula

C₈H₁₁N

SMILES

CCC1=CC(=CC=C1)N

InChI

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

InChIKey

AMKPQMFZCBTTAT-UHFFFAOYSA-N

Compound name

3-ethylaniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 12
References: 4632
Patents: 121.08915 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]+	122.096426	123.3
[M+Na]+	144.078368	131.3
[M-H]-	120.081874	126.9
[M+NH4]+	139.122973	145.5
[M+K]+	160.052308	129.3
[M+H-H2O]+	104.086410	118.0
[M+HCOO]-	166.087351	148.6
[M+CH3COO]-	180.103001	173.5
[M+Na-2H]-	142.063816	130.7
[M]+	121.08860142	121.5
[M]-	121.08969858	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe