CID 13863568

111492-61-6

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-11-7-10-13(17)14(18)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-/m0/s1
InChIKey
XJQDKMPOKJENLS-ZDUSSCGKSA-N
Compound name
tert-butyl (2S)-2-benzoylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

275.15213 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 165.2
[M+Na]+ 298.14135 174.6
[M+NH4]+ 293.18595 171.5
[M+K]+ 314.11529 172.0
[M-H]- 274.14485 166.0
[M+Na-2H]- 296.12680 169.8
[M]+ 275.15158 166.5
[M]- 275.15268 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe