CID 617724

7101-63-5

Structural Information

Molecular Formula
C15H15NO2
SMILES
C1CCC2=C(C3=CC=CC=C3N=C2CC1)C(=O)O
InChI
InChI=1S/C15H15NO2/c17-15(18)14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H,17,18)
InChIKey
GNZNZCXRLQTPNF-UHFFFAOYSA-N
Compound name
7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

241.11028 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 150.6
[M+Na]+ 264.09950 156.5
[M-H]- 240.10300 154.3
[M+NH4]+ 259.14410 167.1
[M+K]+ 280.07344 156.3
[M+H-H2O]+ 224.10754 145.0
[M+HCOO]- 286.10848 166.5
[M+CH3COO]- 300.12413 161.5
[M+Na-2H]- 262.08495 156.7
[M]+ 241.10973 145.5
[M]- 241.11083 145.5
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

No patent data available for this compound.