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

13
Patents

202.07423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 140.3
[M+Na]+ 225.063448 149.6
[M-H]- 201.066954 144.4
[M+NH4]+ 220.108053 158.9
[M+K]+ 241.037388 142.7
[M+H-H2O]+ 185.071490 138.2
[M+HCOO]- 247.072431 164.0
[M+CH3COO]- 261.088081 182.3
[M+Na-2H]- 223.048896 149.8
[M]+ 202.07368142 140.3
[M]- 202.07477858 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