CID 85855150

2648941-41-5

Structural Information

Molecular Formula

C₅H₁₀BrNO₂

SMILES

C1COC(O1)(CN)CBr

InChI

InChI=1S/C5H10BrNO2/c6-3-5(4-7)8-1-2-9-5/h1-4,7H2

InChIKey

YCFVEBNLLVOHPO-UHFFFAOYSA-N

Compound name

[2-(bromomethyl)-1,3-dioxolan-2-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.98949 Da
Monoisotopic Mass: -0.5
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]+	195.99677	139.7
[M+Na]+	217.97871	139.8
[M+NH4]+	213.02331	145.4
[M+K]+	233.95265	141.3
[M-H]-	193.98221	141.6
[M+Na-2H]-	215.96416	141.1
[M]+	194.98894	139.0
[M]-	194.99004	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.