CID 3063733

101564-28-7

Structural Information

Molecular Formula
C20H29NO3
SMILES
CCN1CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H29NO3/c1-2-21-14-13-18(15-21)24-19(22)20(23,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,17-18,23H,2,4,7-8,11-15H2,1H3
InChIKey
UYNFKJBBPLGZCN-UHFFFAOYSA-N
Compound name
(1-ethylpyrrolidin-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.21475 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.22203 182.0
[M+Na]+ 354.20397 182.6
[M-H]- 330.20747 187.0
[M+NH4]+ 349.24857 194.4
[M+K]+ 370.17791 179.1
[M+H-H2O]+ 314.21201 173.3
[M+HCOO]- 376.21295 194.6
[M+CH3COO]- 390.22860 204.7
[M+Na-2H]- 352.18942 180.4
[M]+ 331.21420 175.6
[M]- 331.21530 175.6
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.