CID 13433

2-methyl-8-nitroquinoline

Structural Information

Molecular Formula
C10H8N2O2
SMILES
CC1=NC2=C(C=CC=C2[N+](=O)[O-])C=C1
InChI
InChI=1S/C10H8N2O2/c1-7-5-6-8-3-2-4-9(12(13)14)10(8)11-7/h2-6H,1H3
InChIKey
UHPGVDHXHDPYQP-UHFFFAOYSA-N
Compound name
2-methyl-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

173
Patents

188.05858 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.065856 135.6
[M+Na]+ 211.047798 144.5
[M-H]- 187.051304 139.5
[M+NH4]+ 206.092403 154.5
[M+K]+ 227.021738 137.7
[M+H-H2O]+ 171.055840 133.5
[M+HCOO]- 233.056781 159.6
[M+CH3COO]- 247.072431 178.1
[M+Na-2H]- 209.033246 146.3
[M]+ 188.05803142 134.8
[M]- 188.05912858 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