CID 2763494

O-(2-nitrobenzyl)hydroxylamine

Structural Information

Molecular Formula
C7H8N2O3
SMILES
C1=CC=C(C(=C1)CON)[N+](=O)[O-]
InChI
InChI=1S/C7H8N2O3/c8-12-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5,8H2
InChIKey
NNAKUCHOAIBOTH-UHFFFAOYSA-N
Compound name
O-[(2-nitrophenyl)methyl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
Patents

168.0535 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 130.5
[M+Na]+ 191.04272 137.5
[M-H]- 167.04622 134.0
[M+NH4]+ 186.08732 149.6
[M+K]+ 207.01666 132.4
[M+H-H2O]+ 151.05076 129.1
[M+HCOO]- 213.05170 157.5
[M+CH3COO]- 227.06735 173.7
[M+Na-2H]- 189.02817 139.2
[M]+ 168.05295 128.6
[M]- 168.05405 128.6
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.