CID 110464

5,6-dimethyl-8-nitroquinoline

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CC1=CC(=C2C(=C1C)C=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C11H10N2O2/c1-7-6-10(13(14)15)11-9(8(7)2)4-3-5-12-11/h3-6H,1-2H3
InChIKey
XFLPCFACRGFFQN-UHFFFAOYSA-N
Compound name
5,6-dimethyl-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

202.07423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 140.3
[M+Na]+ 225.06345 149.6
[M-H]- 201.06695 144.4
[M+NH4]+ 220.10805 158.9
[M+K]+ 241.03739 142.7
[M+H-H2O]+ 185.07149 138.2
[M+HCOO]- 247.07243 164.0
[M+CH3COO]- 261.08808 182.3
[M+Na-2H]- 223.04890 149.8
[M]+ 202.07368 140.3
[M]- 202.07478 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe