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

literature stripe

Patent stripe

patents stripe