CID 368565

N-methyl-5-nitroquinolin-6-amine

Structural Information

Molecular Formula
C10H9N3O2
SMILES
CNC1=C(C2=C(C=C1)N=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H9N3O2/c1-11-9-5-4-8-7(3-2-6-12-8)10(9)13(14)15/h2-6,11H,1H3
InChIKey
FKTDYZCHWXTGMA-UHFFFAOYSA-N
Compound name
N-methyl-5-nitroquinolin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

203.06947 Da
Monoisotopic Mass

2.6
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

patents stripe