CID 3063735

101564-29-8

Structural Information

Molecular Formula
C19H27NO3
SMILES
CN1CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H27NO3/c1-20-13-12-17(14-20)23-18(21)19(22,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2,4-5,8-9,16-17,22H,3,6-7,10-14H2,1H3
InChIKey
SVWGJACRGPHCPZ-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

317.1991 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.206376 177.6
[M+Na]+ 340.188318 178.6
[M-H]- 316.191824 182.7
[M+NH4]+ 335.232923 190.5
[M+K]+ 356.162258 175.4
[M+H-H2O]+ 300.196360 169.1
[M+HCOO]- 362.197301 190.5
[M+CH3COO]- 376.212951 201.7
[M+Na-2H]- 338.173766 176.5
[M]+ 317.19855142 170.8
[M]- 317.19964858 170.8
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

patents stripe