CID 621429

N,n-diethyl-4-iodoaniline

Structural Information

Molecular Formula

C₁₀H₁₄IN

SMILES

CCN(CC)C1=CC=C(C=C1)I

InChI

InChI=1S/C10H14IN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3

InChIKey

MQSLKAHRPPLMAA-UHFFFAOYSA-N

Compound name

N,N-diethyl-4-iodoaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 275.0171 Da
Monoisotopic Mass: 3.8
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]+	276.02438	147.4
[M+Na]+	298.00632	147.2
[M-H]-	274.00982	145.2
[M+NH4]+	293.05092	163.4
[M+K]+	313.98026	151.9
[M+H-H2O]+	258.01436	137.5
[M+HCOO]-	320.01530	167.5
[M+CH3COO]-	334.03095	195.0
[M+Na-2H]-	295.99177	141.0
[M]+	275.01655	145.9
[M]-	275.01765	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe