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: 1
Patents: 241.11028 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe