CID 200206

1008-78-2

Structural Information

Molecular Formula
C8H8N3O
SMILES
C1=CC=C(C=C1)[N+]2=NOC(=C2)N
InChI
InChI=1S/C8H8N3O/c9-8-6-11(10-12-8)7-4-2-1-3-5-7/h1-6H,9H2/q+1
InChIKey
VSDJMJCFTRGYMO-UHFFFAOYSA-N
Compound name
3-phenyloxadiazol-3-ium-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

162.06674 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.074016 130.5
[M+Na]+ 185.055958 139.7
[M-H]- 161.059464 135.7
[M+NH4]+ 180.100563 148.1
[M+K]+ 201.029898 132.7
[M+H-H2O]+ 145.064000 125.4
[M+HCOO]- 207.064941 154.5
[M+CH3COO]- 221.080591 169.9
[M+Na-2H]- 183.041406 141.1
[M]+ 162.06619142 128.7
[M]- 162.06728858 128.7
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