CID 43361

1-ethylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate hydrochloride

Structural Information

Molecular Formula
C19H27NO3
SMILES
CCN1CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H27NO3/c1-2-20-13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,2,6-7,10-14H2,1H3
InChIKey
KYWRHWIOCRFGNP-UHFFFAOYSA-N
Compound name
(1-ethylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

317.1991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.20638 177.8
[M+Na]+ 340.18832 185.4
[M+NH4]+ 335.23292 184.5
[M+K]+ 356.16226 184.1
[M-H]- 316.19182 180.1
[M+Na-2H]- 338.17377 182.1
[M]+ 317.19855 179.2
[M]- 317.19965 179.2
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

patents stripe