CID 76048

4-methyl-8-nitroquinoline

Structural Information

Molecular Formula
C10H8N2O2
SMILES
CC1=C2C=CC=C(C2=NC=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O2/c1-7-5-6-11-10-8(7)3-2-4-9(10)12(13)14/h2-6H,1H3
InChIKey
ZNGIJEBXIREQLE-UHFFFAOYSA-N
Compound name
4-methyl-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

17
Patents

188.05858 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 135.6
[M+Na]+ 211.04780 144.5
[M-H]- 187.05130 139.5
[M+NH4]+ 206.09240 154.5
[M+K]+ 227.02174 137.7
[M+H-H2O]+ 171.05584 133.5
[M+HCOO]- 233.05678 159.6
[M+CH3COO]- 247.07243 178.1
[M+Na-2H]- 209.03325 146.3
[M]+ 188.05803 134.8
[M]- 188.05913 134.8
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