CID 253141

6-methoxy-2-methyl-8-nitroquinoline

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CC1=NC2=C(C=C(C=C2C=C1)OC)[N+](=O)[O-]
InChI
InChI=1S/C11H10N2O3/c1-7-3-4-8-5-9(16-2)6-10(13(14)15)11(8)12-7/h3-6H,1-2H3
InChIKey
XATLPIDKCYRSNH-UHFFFAOYSA-N
Compound name
6-methoxy-2-methyl-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

218.06914 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 143.7
[M+Na]+ 241.05836 152.8
[M-H]- 217.06186 147.7
[M+NH4]+ 236.10296 161.5
[M+K]+ 257.03230 146.4
[M+H-H2O]+ 201.06640 141.3
[M+HCOO]- 263.06734 167.5
[M+CH3COO]- 277.08299 184.3
[M+Na-2H]- 239.04381 153.2
[M]+ 218.06859 145.0
[M]- 218.06969 145.0
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