CID 9543131

4-amino-6-hydroxylamino-3-methyl-2-nitrophenol

Structural Information

Molecular Formula
C7H9N3O4
SMILES
CC1=C(C(=C(C=C1N)NO)O)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O4/c1-3-4(8)2-5(9-12)7(11)6(3)10(13)14/h2,9,11-12H,8H2,1H3
InChIKey
FKJGBYBJSUZHRW-UHFFFAOYSA-N
Compound name
4-amino-6-(hydroxyamino)-3-methyl-2-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.05931 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.06659 135.4
[M+Na]+ 222.04853 143.1
[M-H]- 198.05203 137.1
[M+NH4]+ 217.09313 152.1
[M+K]+ 238.02247 136.8
[M+H-H2O]+ 182.05657 134.2
[M+HCOO]- 244.05751 160.4
[M+CH3COO]- 258.07316 179.3
[M+Na-2H]- 220.03398 141.7
[M]+ 199.05876 131.5
[M]- 199.05986 131.5
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.