CID 233574

2-bromo-n-carbamoylacetamide

Structural Information

Molecular Formula

C₃H₅BrN₂O₂

SMILES

C(C(=O)NC(=O)N)Br

InChI

InChI=1S/C3H5BrN2O2/c4-1-2(7)6-3(5)8/h1H2,(H3,5,6,7,8)

InChIKey

IIOUXXMRKBVCNM-UHFFFAOYSA-N

Compound name

2-bromo-N-carbamoylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 179.95345 Da
Monoisotopic Mass: 0.1
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]+	180.96073	129.0
[M+Na]+	202.94267	128.0
[M+NH4]+	197.98727	132.1
[M+K]+	218.91661	130.8
[M-H]-	178.94617	126.8
[M+Na-2H]-	200.92812	129.0
[M]+	179.95290	126.5
[M]-	179.95400	126.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.