CID 198885

3-(m-tolyl)sydnone imine 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]+ 177.08966 135.5
[M+Na]+ 199.07160 145.2
[M-H]- 175.07510 140.9
[M+NH4]+ 194.11620 152.9
[M+K]+ 215.04554 137.9
[M+H-H2O]+ 159.07964 130.5
[M+HCOO]- 221.08058 159.2
[M+CH3COO]- 235.09623 174.0
[M+Na-2H]- 197.05705 144.9
[M]+ 176.08183 134.5
[M]- 176.08293 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.