CID 167735898

3-(bromomethyl)oxetane-3-carboxamide

Structural Information

Molecular Formula

C₅H₈BrNO₂

SMILES

C1C(CO1)(CBr)C(=O)N

InChI

InChI=1S/C5H8BrNO2/c6-1-5(4(7)8)2-9-3-5/h1-3H2,(H2,7,8)

InChIKey

CRMLHSLOEMKUFB-UHFFFAOYSA-N

Compound name

3-(bromomethyl)oxetane-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 192.97385 Da
Monoisotopic Mass: -0.7
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]+	193.98113	125.4
[M+Na]+	215.96307	134.2
[M-H]-	191.96657	131.7
[M+NH4]+	211.00767	142.0
[M+K]+	231.93701	128.9
[M+H-H2O]+	175.97111	121.7
[M+HCOO]-	237.97205	144.6
[M+CH3COO]-	251.98770	183.7
[M+Na-2H]-	213.94852	134.1
[M]+	192.97330	150.2
[M]-	192.97440	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.