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 178.3
[M+Na]+ 348.15702 181.1
[M-H]- 324.16052 184.1
[M+NH4]+ 343.20162 190.8
[M+K]+ 364.13096 176.9
[M+H-H2O]+ 308.16506 169.3
[M+HCOO]- 370.16600 195.3
[M+CH3COO]- 384.18165 202.4
[M+Na-2H]- 346.14247 180.3
[M]+ 325.16725 175.7
[M]- 325.16835 175.7
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.