CID 41254

54955-02-1

Structural Information

Molecular Formula

C₅H₁₁BrIN

SMILES

CN(CCBr)CCI

InChI

InChI=1S/C5H11BrIN/c1-8(4-2-6)5-3-7/h2-5H2,1H3

InChIKey

SMIVSSVFKFCZKX-UHFFFAOYSA-N

Compound name

2-bromo-N-(2-iodoethyl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.91196 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]+	291.919236	144.8
[M+Na]+	313.901178	148.2
[M-H]-	289.904684	142.6
[M+NH4]+	308.945783	163.6
[M+K]+	329.875118	144.8
[M+H-H2O]+	273.909220	141.0
[M+HCOO]-	335.910161	162.5
[M+CH3COO]-	349.925811	193.8
[M+Na-2H]-	311.886626	140.4
[M]+	290.91141142	160.9
[M]-	290.91250858	160.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.