CID 3875992

Tert-butyl 3-amino-4-phenylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C(C1)N)C2=CC=CC=C2
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-9-12(13(16)10-17)11-7-5-4-6-8-11/h4-8,12-13H,9-10,16H2,1-3H3
InChIKey
UEGLRNLEEDBVTH-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-4-phenylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

262.16812 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 163.0
[M+Na]+ 285.15734 172.2
[M+NH4]+ 280.20194 169.8
[M+K]+ 301.13128 169.4
[M-H]- 261.16084 165.0
[M+Na-2H]- 283.14279 167.7
[M]+ 262.16757 164.6
[M]- 262.16867 164.6
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