CID 6898725

N-[(6-nitro-2h-1,3-benzodioxol-5-yl)methylidene]hydroxylamine

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 139.1
[M+Na]+ 233.01688 150.6
[M+NH4]+ 228.06148 146.5
[M+K]+ 248.99082 151.2
[M-H]- 209.02038 144.2
[M+Na-2H]- 231.00233 142.4
[M]+ 210.02711 141.8
[M]- 210.02821 141.8
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

No patent data available for this compound.