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 135.2
[M+Na]+ 199.07160 143.9
[M-H]- 175.07510 140.2
[M+NH4]+ 194.11620 152.3
[M+K]+ 215.04554 136.7
[M+H-H2O]+ 159.07964 129.9
[M+HCOO]- 221.08058 158.9
[M+CH3COO]- 235.09623 172.9
[M+Na-2H]- 197.05705 145.3
[M]+ 176.08183 133.8
[M]- 176.08293 133.8
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