CID 212672

24642-41-9

Structural Information

Molecular Formula
C22H29NO2
SMILES
C1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC#CCN3CCCCC3
InChI
InChI=1S/C22H29NO2/c24-21(25-19-11-10-18-23-16-8-3-9-17-23)22(14-6-2-7-15-22)20-12-4-1-5-13-20/h1,4-5,12-13H,2-3,6-9,14-19H2
InChIKey
RSFBBSCATOSUBU-UHFFFAOYSA-N
Compound name
4-piperidin-1-ylbut-2-ynyl 1-phenylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 185.8
[M+Na]+ 362.20904 189.6
[M-H]- 338.21254 188.5
[M+NH4]+ 357.25364 196.6
[M+K]+ 378.18298 180.7
[M+H-H2O]+ 322.21708 169.8
[M+HCOO]- 384.21802 193.6
[M+CH3COO]- 398.23367 212.0
[M+Na-2H]- 360.19449 184.8
[M]+ 339.21927 172.9
[M]- 339.22037 172.9
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.