CID 90105

23456-93-1

Structural Information

Molecular Formula

C₈H₁₀IN₃

SMILES

CN(C)N=NC1=CC=C(C=C1)I

InChI

InChI=1S/C8H10IN3/c1-12(2)11-10-8-5-3-7(9)4-6-8/h3-6H,1-2H3

InChIKey

YONGWAYQQVMIBR-UHFFFAOYSA-N

Compound name

N-[(4-iodophenyl)diazenyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 274.99194 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]+	275.99922	148.5
[M+Na]+	297.98116	152.4
[M+NH4]+	293.02576	153.1
[M+K]+	313.95510	148.8
[M-H]-	273.98466	147.0
[M+Na-2H]-	295.96661	143.9
[M]+	274.99139	147.4
[M]-	274.99249	147.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.