CID 26194

13696-09-8

Structural Information

Molecular Formula
C19H21NO3
SMILES
CN1CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H21NO3/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/h2-11,17,22H,12-14H2,1H3
InChIKey
YIYNRMJWZJVPOO-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-3-yl) 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

311.15213 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 174.4
[M+Na]+ 334.14135 185.9
[M+NH4]+ 329.18595 181.5
[M+K]+ 350.11529 181.7
[M-H]- 310.14485 178.0
[M+Na-2H]- 332.12680 182.3
[M]+ 311.15158 177.0
[M]- 311.15268 177.0
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