CID 3002920

Methyl 2-cyclopentylquinoline-3-carboxylate

Structural Information

Molecular Formula

C₁₆H₁₇NO₂

SMILES

COC(=O)C1=CC2=CC=CC=C2N=C1C3CCCC3

InChI

InChI=1S/C16H17NO2/c1-19-16(18)13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-3-7-11/h4-5,8-11H,2-3,6-7H2,1H3

InChIKey

JDTJIAMKGZOZBH-UHFFFAOYSA-N

Compound name

methyl 2-cyclopentylquinoline-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 255.12593 Da
Monoisotopic Mass: 3.7
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]+	256.133206	158.8
[M+Na]+	278.115148	165.6
[M-H]-	254.118654	164.8
[M+NH4]+	273.159753	177.0
[M+K]+	294.089088	161.9
[M+H-H2O]+	238.123190	150.9
[M+HCOO]-	300.124131	178.6
[M+CH3COO]-	314.139781	170.6
[M+Na-2H]-	276.100596	161.5
[M]+	255.12538142	157.9
[M]-	255.12647858	157.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.