CID 9543061

4-amino-2-hydroxylamino-6-nitrotoluene

Structural Information

Molecular Formula
C7H9N3O3
SMILES
CC1=C(C=C(C=C1[N+](=O)[O-])N)NO
InChI
InChI=1S/C7H9N3O3/c1-4-6(9-11)2-5(8)3-7(4)10(12)13/h2-3,9,11H,8H2,1H3
InChIKey
VQMWRUKXHJGSIE-UHFFFAOYSA-N
Compound name
N-(5-amino-2-methyl-3-nitrophenyl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

183.06439 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07167 132.7
[M+Na]+ 206.05361 140.2
[M-H]- 182.05711 135.4
[M+NH4]+ 201.09821 150.6
[M+K]+ 222.02755 134.1
[M+H-H2O]+ 166.06165 131.4
[M+HCOO]- 228.06259 159.1
[M+CH3COO]- 242.07824 178.3
[M+Na-2H]- 204.03906 140.0
[M]+ 183.06384 128.9
[M]- 183.06494 128.9
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.