CID 5323974

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

Structural Information

Molecular Formula

C₃H₄N₂O₂

SMILES

CC1=NNC(=O)O1

InChI

InChI=1S/C3H4N2O2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)

InChIKey

NNXROHRFMWHXNH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 494
Patents: 100.027275 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]+	101.03455	114.3
[M+Na]+	123.01649	126.3
[M+NH4]+	118.06110	121.6
[M+K]+	138.99043	124.1
[M-H]-	99.019999	114.7
[M+Na-2H]-	121.00194	119.4
[M]+	100.02673	115.8
[M]-	100.02782	115.8

Literature stripe

literature stripe

Patent stripe

patents stripe