CID 203042

Benzilic acid, 1-ethyl-3-pyrrolidinyl ester, hydrochloride

Structural Information

Molecular Formula
C20H23NO3
SMILES
CCN1CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H23NO3/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/h3-12,18,23H,2,13-15H2,1H3
InChIKey
LINSZIYEKJQFMG-UHFFFAOYSA-N
Compound name
(1-ethylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 182.0
[M-H]- 324.16052 184.6
[M+NH4]+ 343.20162 191.2
[M+K]+ 364.13096 177.9
[M+H-H2O]+ 308.16506 169.6
[M+HCOO]- 370.16600 195.3
[M+CH3COO]- 384.18165 203.5
[M+Na-2H]- 346.14247 179.6
[M]+ 325.16725 176.2
[M]- 325.16835 176.2
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

patents stripe