CID 57116091

Tert-butyl (2s,4s)-4-phenylpyrrolidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC(C)(C)OC(=O)[C@@H]1C[C@H](CN1)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-15(2,3)18-14(17)13-9-12(10-16-13)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3/t12-,13+/m1/s1
InChIKey
AWVHHPFRGYICKQ-OLZOCXBDSA-N
Compound name
tert-butyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

247.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 160.0
[M+Na]+ 270.146448 165.0
[M-H]- 246.149954 163.5
[M+NH4]+ 265.191053 176.9
[M+K]+ 286.120388 162.0
[M+H-H2O]+ 230.154490 153.2
[M+HCOO]- 292.155431 177.2
[M+CH3COO]- 306.171081 189.8
[M+Na-2H]- 268.131896 161.5
[M]+ 247.15668142 157.3
[M]- 247.15777858 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.