CID 198873

Sydnone, 4-methyl-3-phenyl-

Structural Information

Molecular Formula
C9H9N2O2
SMILES
CC1=[N+](ONC1=O)C2=CC=CC=C2
InChI
InChI=1S/C9H8N2O2/c1-7-9(12)10-13-11(7)8-5-3-2-4-6-8/h2-6H,1H3/p+1
InChIKey
GRNLCHMFCSMWBO-UHFFFAOYSA-O
Compound name
4-methyl-5-phenyl-1,2,5-oxadiazol-5-ium-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.0664 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07368 132.4
[M+Na]+ 200.05562 148.7
[M+NH4]+ 195.10022 141.2
[M+K]+ 216.02956 145.5
[M-H]- 176.05912 137.4
[M+Na-2H]- 198.04107 141.1
[M]+ 177.06585 136.5
[M]- 177.06695 136.5
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

No patent data available for this compound.