CID 466920

Cyclopentyl 2-cyano-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C16H16N2O2
SMILES
C1CCC(C1)OC(=O)N2C(C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C16H16N2O2/c17-11-13-10-9-12-5-1-4-8-15(12)18(13)16(19)20-14-6-2-3-7-14/h1,4-5,8-10,13-14H,2-3,6-7H2
InChIKey
XEVGFBGPUKZCCB-UHFFFAOYSA-N
Compound name
cyclopentyl 2-cyano-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.1212 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.128476 163.8
[M+Na]+ 291.110418 172.6
[M-H]- 267.113924 167.9
[M+NH4]+ 286.155023 179.4
[M+K]+ 307.084358 165.6
[M+H-H2O]+ 251.118460 149.3
[M+HCOO]- 313.119401 178.8
[M+CH3COO]- 327.135051 173.4
[M+Na-2H]- 289.095866 165.2
[M]+ 268.12065142 156.4
[M]- 268.12174858 156.4
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.