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

99
Patents

101.0351 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.04238 112.4
[M+Na]+ 124.02432 123.1
[M-H]- 100.02782 113.8
[M+NH4]+ 119.06892 132.8
[M+K]+ 139.99826 117.8
[M+H-H2O]+ 84.032360 109.5
[M+HCOO]- 146.03330 135.0
[M+CH3COO]- 160.04895 153.5
[M+Na-2H]- 122.00977 123.6
[M]+ 101.03455 111.8
[M]- 101.03565 111.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe