CID 414242

3-methylsydnone

Structural Information

Molecular Formula

C₃H₅N₂O₂

SMILES

C[N+]1=CC(=O)ON1

InChI

InChI=1S/C3H4N2O2/c1-5-2-3(6)7-4-5/h2H,1H3/p+1

InChIKey

KUYNWZKDWRYCIH-UHFFFAOYSA-O

Compound name

3-methyl-2H-oxadiazol-3-ium-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 101.0351 Da
Monoisotopic Mass: 0.3
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]+	102.04238	112.0
[M+Na]+	124.02432	126.1
[M+NH4]+	119.06892	120.5
[M+K]+	139.99826	124.5
[M-H]-	100.02782	114.2
[M+Na-2H]-	122.00977	118.2
[M]+	101.03455	114.7
[M]-	101.03565	114.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe