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

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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 133.0
[M+Na]+ 199.07160 148.7
[M+NH4]+ 194.11620 142.3
[M+K]+ 215.04554 145.5
[M-H]- 175.07510 139.4
[M+Na-2H]- 197.05705 142.2
[M]+ 176.08183 137.3
[M]- 176.08293 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.