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]+ 217.097146 145.3
[M+Na]+ 239.079088 154.1
[M-H]- 215.082594 149.1
[M+NH4]+ 234.123693 163.3
[M+K]+ 255.053028 146.9
[M+H-H2O]+ 199.087130 142.9
[M+HCOO]- 261.088071 168.5
[M+CH3COO]- 275.103721 185.3
[M+Na-2H]- 237.064536 154.1
[M]+ 216.08932142 145.5
[M]- 216.09041858 145.5
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.