CID 3608236

2-ethyl-4-methyl-8-nitroquinoline

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CCC1=NC2=C(C=CC=C2[N+](=O)[O-])C(=C1)C
InChI
InChI=1S/C12H12N2O2/c1-3-9-7-8(2)10-5-4-6-11(14(15)16)12(10)13-9/h4-7H,3H2,1-2H3
InChIKey
RHOGVMOYHYATHR-UHFFFAOYSA-N
Compound name
2-ethyl-4-methyl-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08987 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 144.5
[M+Na]+ 239.07909 160.4
[M+NH4]+ 234.12369 153.6
[M+K]+ 255.05303 155.4
[M-H]- 215.08259 148.9
[M+Na-2H]- 237.06454 151.8
[M]+ 216.08932 148.1
[M]- 216.09042 148.1
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.