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

2
Patents

241.11028 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.117556 150.6
[M+Na]+ 264.099498 156.5
[M-H]- 240.103004 154.3
[M+NH4]+ 259.144103 167.1
[M+K]+ 280.073438 156.3
[M+H-H2O]+ 224.107540 145.0
[M+HCOO]- 286.108481 166.5
[M+CH3COO]- 300.124131 161.5
[M+Na-2H]- 262.084946 156.7
[M]+ 241.10973142 145.5
[M]- 241.11082858 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

patents stripe