CID 73740

3,4-dimethyl-8-nitroquinoline

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CC1=CN=C2C(=C1C)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C11H10N2O2/c1-7-6-12-11-9(8(7)2)4-3-5-10(11)13(14)15/h3-6H,1-2H3
InChIKey
FKXPOWALVWGYNT-UHFFFAOYSA-N
Compound name
3,4-dimethyl-8-nitroquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
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

literature stripe

Patent stripe

patents stripe