CID 520238

Benzo[g]quinoline

Structural Information

Molecular Formula
C13H9N
SMILES
C1=CC=C2C=C3C(=CC2=C1)C=CC=N3
InChI
InChI=1S/C13H9N/c1-2-5-11-9-13-12(6-3-7-14-13)8-10(11)4-1/h1-9H
InChIKey
RFQDDXWZZVRLKO-UHFFFAOYSA-N
Compound name
benzo[g]quinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

6096
Patents

179.0735 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08078 134.0
[M+Na]+ 202.06272 144.7
[M-H]- 178.06622 138.6
[M+NH4]+ 197.10732 154.9
[M+K]+ 218.03666 139.7
[M+H-H2O]+ 162.07076 126.8
[M+HCOO]- 224.07170 157.1
[M+CH3COO]- 238.08735 148.3
[M+Na-2H]- 200.04817 147.0
[M]+ 179.07295 135.1
[M]- 179.07405 135.1
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