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

2
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

literature stripe

Patent stripe

patents stripe