CID 212666

24642-36-2

Structural Information

Molecular Formula
C22H29NO2
SMILES
CC(C#CCN1CCCCC1)OC(=O)C2(CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C22H29NO2/c1-19(11-10-18-23-16-8-3-9-17-23)25-21(24)22(14-6-7-15-22)20-12-4-2-5-13-20/h2,4-5,12-13,19H,3,6-9,14-18H2,1H3
InChIKey
GIJAELYBRHVNSR-UHFFFAOYSA-N
Compound name
5-piperidin-1-ylpent-3-yn-2-yl 1-phenylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.227096 187.8
[M+Na]+ 362.209038 192.3
[M-H]- 338.212544 191.1
[M+NH4]+ 357.253643 200.5
[M+K]+ 378.182978 183.7
[M+H-H2O]+ 322.217080 172.4
[M+HCOO]- 384.218021 196.8
[M+CH3COO]- 398.233671 212.2
[M+Na-2H]- 360.194486 184.2
[M]+ 339.21927142 176.4
[M]- 339.22036858 176.4
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.