CID 6898725

1195395-64-2

Structural Information

Molecular Formula
C8H6N2O5
SMILES
C1OC2=C(O1)C=C(C(=C2)/C=N/O)[N+](=O)[O-]
InChI
InChI=1S/C8H6N2O5/c11-9-3-5-1-7-8(15-4-14-7)2-6(5)10(12)13/h1-3,11H,4H2/b9-3+
InChIKey
QSUKJRNTONMMNX-YCRREMRBSA-N
Compound name
(NE)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.02766 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.03494 138.3
[M+Na]+ 233.01688 145.9
[M-H]- 209.02038 144.6
[M+NH4]+ 228.06148 156.1
[M+K]+ 248.99082 142.6
[M+H-H2O]+ 193.02492 137.4
[M+HCOO]- 255.02586 163.3
[M+CH3COO]- 269.04151 179.5
[M+Na-2H]- 231.00233 149.3
[M]+ 210.02711 139.5
[M]- 210.02821 139.5
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.