CID 121553754

Tert-butyl (3s,4r)-4-phenylpyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC(C)(C)OC(=O)[C@@H]1CNC[C@H]1C2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-15(2,3)18-14(17)13-10-16-9-12(13)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3/t12-,13+/m0/s1
InChIKey
PWKLLLMGZOWOCC-QWHCGFSZSA-N
Compound name
tert-butyl (3S,4R)-4-phenylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 160.0
[M+Na]+ 270.14645 165.0
[M-H]- 246.14995 163.5
[M+NH4]+ 265.19105 176.9
[M+K]+ 286.12039 162.0
[M+H-H2O]+ 230.15449 153.2
[M+HCOO]- 292.15543 177.2
[M+CH3COO]- 306.17108 189.8
[M+Na-2H]- 268.13190 161.5
[M]+ 247.15668 157.3
[M]- 247.15778 157.3
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

No patent data available for this compound.