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]+ 192.08933 139.1
[M+Na]+ 214.07127 150.0
[M-H]- 190.07477 144.0
[M+NH4]+ 209.11587 156.1
[M+K]+ 230.04521 141.9
[M+H-H2O]+ 174.07931 134.8
[M+HCOO]- 236.08025 160.9
[M+CH3COO]- 250.09590 172.6
[M+Na-2H]- 212.05672 147.3
[M]+ 191.08150 139.4
[M]- 191.08260 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.