CID 3012201

Methyl 5-cyclopentylquinoline-2-carboxylate

Structural Information

Molecular Formula
C16H17NO2
SMILES
COC(=O)C1=NC2=CC=CC(=C2C=C1)C3CCCC3
InChI
InChI=1S/C16H17NO2/c1-19-16(18)15-10-9-13-12(11-5-2-3-6-11)7-4-8-14(13)17-15/h4,7-11H,2-3,5-6H2,1H3
InChIKey
BBGIJQIRMGCNHZ-UHFFFAOYSA-N
Compound name
methyl 5-cyclopentylquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.12593 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 158.8
[M+Na]+ 278.11515 165.6
[M-H]- 254.11865 164.8
[M+NH4]+ 273.15975 177.0
[M+K]+ 294.08909 161.9
[M+H-H2O]+ 238.12319 150.9
[M+HCOO]- 300.12413 178.6
[M+CH3COO]- 314.13978 170.6
[M+Na-2H]- 276.10060 161.5
[M]+ 255.12538 157.9
[M]- 255.12648 157.9
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.