CID 18428992

1,3,4-oxadiazol-2(3h)-one

Structural Information

Molecular Formula

C₂H₂N₂O₂

SMILES

C1=NNC(=O)O1

InChI

InChI=1S/C2H2N2O2/c5-2-4-3-1-6-2/h1H,(H,4,5)

InChIKey

WTSXVIMLKCKWIW-UHFFFAOYSA-N

Compound name

3H-1,3,4-oxadiazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 2333
Patents: 86.01163 Da
Monoisotopic Mass: -0.2
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]+	87.018906	108.2
[M+Na]+	109.000848	118.3
[M-H]-	85.004354	108.9
[M+NH4]+	104.045453	129.0
[M+K]+	124.974788	118.7
[M+H-H2O]+	69.008890	102.2
[M+HCOO]-	131.009831	131.3
[M+CH3COO]-	145.025481	156.1
[M+Na-2H]-	106.986296	117.9
[M]+	86.01108142	108.1
[M]-	86.01217858	108.1

Literature stripe

literature stripe

Patent stripe

patents stripe