CID 17749744

874367-19-8

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)[C@@H]1CNC[C@H]1C2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11+/m0/s1
InChIKey
RHZYPIMJMZIAGF-WDEREUQCSA-N
Compound name
methyl (3S,4R)-4-phenylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

205.11028 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 147.2
[M+Na]+ 228.09950 158.1
[M+NH4]+ 223.14410 155.1
[M+K]+ 244.07344 154.0
[M-H]- 204.10300 149.3
[M+Na-2H]- 226.08495 153.0
[M]+ 205.10973 149.1
[M]- 205.11083 149.1
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