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]+ 269.12848 163.8
[M+Na]+ 291.11042 172.6
[M-H]- 267.11392 167.9
[M+NH4]+ 286.15502 179.4
[M+K]+ 307.08436 165.6
[M+H-H2O]+ 251.11846 149.3
[M+HCOO]- 313.11940 178.8
[M+CH3COO]- 327.13505 173.4
[M+Na-2H]- 289.09587 165.2
[M]+ 268.12065 156.4
[M]- 268.12175 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.