CID 68452326

916889-45-7

Structural Information

Molecular Formula

C₅H₅BrN₂O₃

SMILES

CCOC(=O)C1=NN=C(O1)Br

InChI

InChI=1S/C5H5BrN2O3/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3

InChIKey

PHHNZUKINCAFBC-UHFFFAOYSA-N

Compound name

ethyl 5-bromo-1,3,4-oxadiazole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 219.94835 Da
Monoisotopic Mass: 1.3
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]+	220.95563	133.8
[M+Na]+	242.93757	146.9
[M-H]-	218.94107	138.7
[M+NH4]+	237.98217	153.9
[M+K]+	258.91151	139.1
[M+H-H2O]+	202.94561	133.3
[M+HCOO]-	264.94655	154.5
[M+CH3COO]-	278.96220	181.8
[M+Na-2H]-	240.92302	141.7
[M]+	219.94780	156.2
[M]-	219.94890	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe