CID 2843951

N-methyl-5-nitroquinolin-8-amine

Structural Information

Molecular Formula
C10H9N3O2
SMILES
CNC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2
InChI
InChI=1S/C10H9N3O2/c1-11-8-4-5-9(13(14)15)7-3-2-6-12-10(7)8/h2-6,11H,1H3
InChIKey
DPGGPHUMELSDSV-UHFFFAOYSA-N
Compound name
N-methyl-5-nitroquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

203.06947 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.076746 138.3
[M+Na]+ 226.058688 146.1
[M-H]- 202.062194 142.0
[M+NH4]+ 221.103293 156.1
[M+K]+ 242.032628 139.3
[M+H-H2O]+ 186.066730 135.7
[M+HCOO]- 248.067671 163.3
[M+CH3COO]- 262.083321 182.8
[M+Na-2H]- 224.044136 149.5
[M]+ 203.06892142 136.7
[M]- 203.07001858 136.7
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

No patent data available for this compound.