CID 198885

Sydnone imine, 3-(m-tolyl)-, monohydrochloride

Structural Information

Molecular Formula
C9H10N3O
SMILES
CC1=CC(=CC=C1)[N+]2=NOC=C2N
InChI
InChI=1S/C9H10N3O/c1-7-3-2-4-8(5-7)12-9(10)6-13-11-12/h2-6H,10H2,1H3/q+1
InChIKey
GMIMTWRKIGQTGZ-UHFFFAOYSA-N
Compound name
3-(3-methylphenyl)oxadiazol-3-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.08238 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.089656 135.5
[M+Na]+ 199.071598 145.2
[M-H]- 175.075104 140.9
[M+NH4]+ 194.116203 152.9
[M+K]+ 215.045538 137.9
[M+H-H2O]+ 159.079640 130.5
[M+HCOO]- 221.080581 159.2
[M+CH3COO]- 235.096231 174.0
[M+Na-2H]- 197.057046 144.9
[M]+ 176.08183142 134.5
[M]- 176.08292858 134.5
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.