CID 135521394

Nsc663962

Structural Information

Molecular Formula
C6H7N3O3
SMILES
C1CC2=NO[N+](=C2/C(=N\O)/C1)[O-]
InChI
InChI=1S/C6H7N3O3/c10-7-4-2-1-3-5-6(4)9(11)12-8-5/h10H,1-3H2/b7-4-
InChIKey
UKOVCVQBLSFKFX-DAXSKMNVSA-N
Compound name
(NZ)-N-(3-oxido-6,7-dihydro-5H-2,1,3-benzoxadiazol-3-ium-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.04874 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05602 130.0
[M+Na]+ 192.03796 138.3
[M-H]- 168.04146 131.5
[M+NH4]+ 187.08256 148.0
[M+K]+ 208.01190 133.0
[M+H-H2O]+ 152.04600 128.2
[M+HCOO]- 214.04694 150.7
[M+CH3COO]- 228.06259 167.3
[M+Na-2H]- 190.02341 140.3
[M]+ 169.04819 126.7
[M]- 169.04929 126.7
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

No patent data available for this compound.