CID 60171279

2-ethyl-6-nitroquinolin-4-amine

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CCC1=CC(=C2C=C(C=CC2=N1)[N+](=O)[O-])N
InChI
InChI=1S/C11H11N3O2/c1-2-7-5-10(12)9-6-8(14(15)16)3-4-11(9)13-7/h3-6H,2H2,1H3,(H2,12,13)
InChIKey
ZPLJJBCBWSWICA-UHFFFAOYSA-N
Compound name
2-ethyl-6-nitroquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 143.9
[M+Na]+ 240.07435 152.3
[M-H]- 216.07785 147.3
[M+NH4]+ 235.11895 161.2
[M+K]+ 256.04829 144.8
[M+H-H2O]+ 200.08239 141.4
[M+HCOO]- 262.08333 167.9
[M+CH3COO]- 276.09898 186.3
[M+Na-2H]- 238.05980 152.9
[M]+ 217.08458 142.1
[M]- 217.08568 142.1
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.