CID 58779

1,3-dimethyl-4-piperidyl phenylcyclopentylglycolate hydrochloride

Structural Information

Molecular Formula
C20H29NO3
SMILES
CC1CN(CCC1OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C
InChI
InChI=1S/C20H29NO3/c1-15-14-21(2)13-12-18(15)24-19(22)20(23,17-10-6-7-11-17)16-8-4-3-5-9-16/h3-5,8-9,15,17-18,23H,6-7,10-14H2,1-2H3
InChIKey
HMOYVGUDXRQRJL-UHFFFAOYSA-N
Compound name
(1,3-dimethylpiperidin-4-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.21475 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.22203 181.9
[M+Na]+ 354.20397 183.5
[M-H]- 330.20747 187.3
[M+NH4]+ 349.24857 194.6
[M+K]+ 370.17791 180.0
[M+H-H2O]+ 314.21201 173.6
[M+HCOO]- 376.21295 194.5
[M+CH3COO]- 390.22860 205.9
[M+Na-2H]- 352.18942 179.7
[M]+ 331.21420 175.9
[M]- 331.21530 175.9
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.