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]+ 204.07675 138.3
[M+Na]+ 226.05869 146.1
[M-H]- 202.06219 142.0
[M+NH4]+ 221.10329 156.1
[M+K]+ 242.03263 139.3
[M+H-H2O]+ 186.06673 135.7
[M+HCOO]- 248.06767 163.3
[M+CH3COO]- 262.08332 182.8
[M+Na-2H]- 224.04414 149.5
[M]+ 203.06892 136.7
[M]- 203.07002 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.