CID 14102971

Rac-methyl (2r,4s)-4-phenylpyrrolidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
COC(=O)[C@@H]1C[C@@H](CN1)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c1-15-12(14)11-7-10(8-13-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11-/m0/s1
InChIKey
LYQKWBSCUYMYIR-QWRGUYRKSA-N
Compound name
methyl (2S,4R)-4-phenylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

205.11028 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 146.3
[M+Na]+ 228.09950 152.1
[M-H]- 204.10300 150.0
[M+NH4]+ 223.14410 164.7
[M+K]+ 244.07344 149.3
[M+H-H2O]+ 188.10754 139.2
[M+HCOO]- 250.10848 166.1
[M+CH3COO]- 264.12413 181.1
[M+Na-2H]- 226.08495 148.5
[M]+ 205.10973 143.1
[M]- 205.11083 143.1
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