CID 4713515

7-methoxy-1h,2h,3h-cyclopenta[b]quinoline-9-carboxylic acid

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

COC1=CC2=C(C=C1)N=C3CCCC3=C2C(=O)O

InChI

InChI=1S/C14H13NO3/c1-18-8-5-6-12-10(7-8)13(14(16)17)9-3-2-4-11(9)15-12/h5-7H,2-4H2,1H3,(H,16,17)

InChIKey

ABBJPLPOCNJGJQ-UHFFFAOYSA-N

Compound name

7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.08954 Da
Monoisotopic Mass: 2.4
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]+	244.096816	152.4
[M+Na]+	266.078758	161.4
[M-H]-	242.082264	155.6
[M+NH4]+	261.123363	172.0
[M+K]+	282.052698	157.7
[M+H-H2O]+	226.086800	146.1
[M+HCOO]-	288.087741	171.3
[M+CH3COO]-	302.103391	191.5
[M+Na-2H]-	264.064206	156.9
[M]+	243.08899142	153.8
[M]-	243.09008858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.