CID 43560342

N-(cyclopropylmethyl)-2-iodoaniline

Structural Information

Molecular Formula

C₁₀H₁₂IN

SMILES

C1CC1CNC2=CC=CC=C2I

InChI

InChI=1S/C10H12IN/c11-9-3-1-2-4-10(9)12-7-8-5-6-8/h1-4,8,12H,5-7H2

InChIKey

FXSRSHXMWZJOGA-UHFFFAOYSA-N

Compound name

N-(cyclopropylmethyl)-2-iodoaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 273.00146 Da
Monoisotopic Mass: 3.3
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]+	274.00874	144.5
[M+Na]+	295.99068	151.2
[M+NH4]+	291.03528	150.4
[M+K]+	311.96462	148.2
[M-H]-	271.99418	149.4
[M+Na-2H]-	293.97613	143.4
[M]+	273.00091	146.9
[M]-	273.00201	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe