CID 20423

Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester

Structural Information

Molecular Formula
C20H23NO3
SMILES
C1CCN(C1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H23NO3/c22-19(24-16-15-21-13-7-8-14-21)20(23,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-6,9-12,23H,7-8,13-16H2
InChIKey
PWSPYDPXLSEQQH-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

325.1678 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 179.3
[M+Na]+ 348.15702 190.2
[M+NH4]+ 343.20162 186.2
[M+K]+ 364.13096 185.5
[M-H]- 324.16052 182.8
[M+Na-2H]- 346.14247 187.0
[M]+ 325.16725 181.7
[M]- 325.16835 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.