CID 5468094

Nsc663959

Structural Information

Molecular Formula
C6H8N4O2
SMILES
C1C/C(=N/N)/C2=NO[N+](=C2C1)[O-]
InChI
InChI=1S/C6H8N4O2/c7-8-4-2-1-3-5-6(4)9-12-10(5)11/h1-3,7H2/b8-4-
InChIKey
ABMNJJVCQWLTHR-YWEYNIOJSA-N
Compound name
(Z)-(1-oxido-6,7-dihydro-5H-2,1,3-benzoxadiazol-1-ium-4-ylidene)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.06473 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07201 129.9
[M+Na]+ 191.05395 137.9
[M-H]- 167.05745 132.2
[M+NH4]+ 186.09855 148.1
[M+K]+ 207.02789 132.5
[M+H-H2O]+ 151.06199 127.5
[M+HCOO]- 213.06293 152.3
[M+CH3COO]- 227.07858 172.0
[M+Na-2H]- 189.03940 140.0
[M]+ 168.06418 125.4
[M]- 168.06528 125.4
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.