CID 246300

8-methyl-5-nitroquinoline

Structural Information

Molecular Formula
C10H8N2O2
SMILES
CC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2
InChI
InChI=1S/C10H8N2O2/c1-7-4-5-9(12(13)14)8-3-2-6-11-10(7)8/h2-6H,1H3
InChIKey
JJGAHJWKYOSGEU-UHFFFAOYSA-N
Compound name
8-methyl-5-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

57
Patents

188.05858 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 135.3
[M+Na]+ 211.04780 151.1
[M+NH4]+ 206.09240 144.7
[M+K]+ 227.02174 146.4
[M-H]- 187.05130 139.6
[M+Na-2H]- 209.03325 143.4
[M]+ 188.05803 138.8
[M]- 188.05913 138.8
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