CID 202150

Sydnone, 4-methyl-3-(m-tolyl)-

Structural Information

Molecular Formula
C10H11N2O2
SMILES
CC1=CC(=CC=C1)[N+]2=C(C(=O)ON2)C
InChI
InChI=1S/C10H10N2O2/c1-7-4-3-5-9(6-7)12-8(2)10(13)14-11-12/h3-6H,1-2H3/p+1
InChIKey
BNPSRZLOKIVYFA-UHFFFAOYSA-O
Compound name
4-methyl-3-(3-methylphenyl)-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.08205 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.089326 139.1
[M+Na]+ 214.071268 150.0
[M-H]- 190.074774 144.0
[M+NH4]+ 209.115873 156.1
[M+K]+ 230.045208 141.9
[M+H-H2O]+ 174.079310 134.8
[M+HCOO]- 236.080251 160.9
[M+CH3COO]- 250.095901 172.6
[M+Na-2H]- 212.056716 147.3
[M]+ 191.08150142 139.4
[M]- 191.08259858 139.4
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.