CID 459783

3-methylbenzo[f]quinoline-1-carboxylic acid

Structural Information

Molecular Formula
C15H11NO2
SMILES
CC1=CC(=C2C(=N1)C=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C15H11NO2/c1-9-8-12(15(17)18)14-11-5-3-2-4-10(11)6-7-13(14)16-9/h2-8H,1H3,(H,17,18)
InChIKey
DPYJYHUSSCOKLA-UHFFFAOYSA-N
Compound name
3-methylbenzo[f]quinoline-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.07898 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 150.1
[M+Na]+ 260.06820 160.9
[M-H]- 236.07170 153.8
[M+NH4]+ 255.11280 168.2
[M+K]+ 276.04214 155.9
[M+H-H2O]+ 220.07624 142.9
[M+HCOO]- 282.07718 170.4
[M+CH3COO]- 296.09283 163.1
[M+Na-2H]- 258.05365 158.8
[M]+ 237.07843 152.4
[M]- 237.07953 152.4
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

No patent data available for this compound.