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 134.6
[M+Na]+ 200.05562 144.9
[M-H]- 176.05912 139.2
[M+NH4]+ 195.10022 151.7
[M+K]+ 216.02956 137.2
[M+H-H2O]+ 160.06366 130.1
[M+HCOO]- 222.06460 156.7
[M+CH3COO]- 236.08025 168.4
[M+Na-2H]- 198.04107 144.0
[M]+ 177.06585 134.1
[M]- 177.06695 134.1
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.