CID 44118308

1030613-69-4

Structural Information

Molecular Formula

C₄H₅BrN₂O₂

SMILES

C1C(ON=C1Br)C(=O)N

InChI

InChI=1S/C4H5BrN2O2/c5-3-1-2(4(6)8)9-7-3/h2H,1H2,(H2,6,8)

InChIKey

NVMBOQJWLFNIMK-UHFFFAOYSA-N

Compound name

3-bromo-4,5-dihydro-1,2-oxazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 191.95345 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]+	192.96073	131.4
[M+Na]+	214.94267	143.0
[M-H]-	190.94617	136.8
[M+NH4]+	209.98727	153.0
[M+K]+	230.91661	134.3
[M+H-H2O]+	174.95071	130.8
[M+HCOO]-	236.95165	152.1
[M+CH3COO]-	250.96730	179.3
[M+Na-2H]-	212.92812	138.0
[M]+	191.95290	148.5
[M]-	191.95400	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe