CID 3002270

2-cyclohexyl-8-nitro-quinoline

Structural Information

Molecular Formula
C15H16N2O2
SMILES
C1CCC(CC1)C2=NC3=C(C=CC=C3[N+](=O)[O-])C=C2
InChI
InChI=1S/C15H16N2O2/c18-17(19)14-8-4-7-12-9-10-13(16-15(12)14)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6H2
InChIKey
YSUUDYJLPDAESC-UHFFFAOYSA-N
Compound name
2-cyclohexyl-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.1212 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 156.6
[M+Na]+ 279.11042 161.1
[M-H]- 255.11392 161.9
[M+NH4]+ 274.15502 171.7
[M+K]+ 295.08436 153.1
[M+H-H2O]+ 239.11846 152.3
[M+HCOO]- 301.11940 175.8
[M+CH3COO]- 315.13505 190.3
[M+Na-2H]- 277.09587 164.0
[M]+ 256.12065 150.5
[M]- 256.12175 150.5
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.