CID 20269

Ethanamine, 2-bromo-n-(2-bromoethyl)-n-methyl-

Structural Information

Molecular Formula

C₅H₁₁Br₂N

SMILES

CN(CCBr)CCBr

InChI

InChI=1S/C5H11Br2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3

InChIKey

WJZGRGFVSRMXQX-UHFFFAOYSA-N

Compound name

2-bromo-N-(2-bromoethyl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 30
Patents: 242.92583 Da
Monoisotopic Mass: 1.8
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]+	243.93311	133.7
[M+Na]+	265.91505	143.6
[M-H]-	241.91855	138.7
[M+NH4]+	260.95965	154.7
[M+K]+	281.88899	128.9
[M+H-H2O]+	225.92309	140.7
[M+HCOO]-	287.92403	150.9
[M+CH3COO]-	301.93968	201.0
[M+Na-2H]-	263.90050	141.2
[M]+	242.92528	168.0
[M]-	242.92638	168.0

Literature stripe

literature stripe

Patent stripe

patents stripe