CID 688304

50888-84-1

Structural Information

Molecular Formula
C17H22N2O3
SMILES
C1CCN(C1)C(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C17H22N2O3/c20-16(18-10-4-5-11-18)15-9-6-12-19(15)17(21)22-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2/t15-/m0/s1
InChIKey
VJDNUCLKCQKXMM-HNNXBMFYSA-N
Compound name
benzyl (2S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

29
Patents

302.16306 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 173.5
[M+Na]+ 325.15228 181.8
[M+NH4]+ 320.19688 179.8
[M+K]+ 341.12622 180.3
[M-H]- 301.15578 175.6
[M+Na-2H]- 323.13773 177.9
[M]+ 302.16251 174.8
[M]- 302.16361 174.8
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