CID 198828

3-benzylsydnone imine monohydrochloride

Structural Information

Molecular Formula
C9H10N3O
SMILES
C1=CC=C(C=C1)C[N+]2=NOC(=C2)N
InChI
InChI=1S/C9H10N3O/c10-9-7-12(11-13-9)6-8-4-2-1-3-5-8/h1-5,7H,6,10H2/q+1
InChIKey
QIZIGYOACXGIGH-UHFFFAOYSA-N
Compound name
3-benzyloxadiazol-3-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

176.08238 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08966 132.9
[M+Na]+ 199.07160 148.3
[M+NH4]+ 194.11620 142.3
[M+K]+ 215.04554 144.9
[M-H]- 175.07510 139.2
[M+Na-2H]- 197.05705 142.4
[M]+ 176.08183 137.2
[M]- 176.08293 137.2
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

patents stripe