CID 205335

17781-97-4

Structural Information

Molecular Formula
C21H27NO2
SMILES
C1CCN(CC1)CC#CCOC(=O)C2(CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C21H27NO2/c23-20(24-18-10-9-17-22-15-7-2-8-16-22)21(13-5-6-14-21)19-11-3-1-4-12-19/h1,3-4,11-12H,2,5-8,13-18H2
InChIKey
ZXDLHWUNZJYPRX-UHFFFAOYSA-N
Compound name
4-piperidin-1-ylbut-2-ynyl 1-phenylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 183.0
[M+Na]+ 348.19342 188.2
[M-H]- 324.19692 186.4
[M+NH4]+ 343.23802 196.2
[M+K]+ 364.16736 179.2
[M+H-H2O]+ 308.20146 167.5
[M+HCOO]- 370.20240 193.2
[M+CH3COO]- 384.21805 208.8
[M+Na-2H]- 346.17887 180.9
[M]+ 325.20365 171.8
[M]- 325.20475 171.8
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.