CID 10585070

L-proline, 4-phenoxy-, methyl ester, hydrochloride, cis-

Structural Information

Molecular Formula
C12H15NO3
SMILES
COC(=O)[C@@H]1C[C@@H](CN1)OC2=CC=CC=C2
InChI
InChI=1S/C12H15NO3/c1-15-12(14)11-7-10(8-13-11)16-9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3/t10-,11-/m0/s1
InChIKey
ZZKPCAVNDNPENO-QWRGUYRKSA-N
Compound name
methyl (2S,4S)-4-phenoxypyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

221.1052 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 149.1
[M+Na]+ 244.09442 154.8
[M-H]- 220.09792 152.7
[M+NH4]+ 239.13902 166.8
[M+K]+ 260.06836 152.5
[M+H-H2O]+ 204.10246 141.8
[M+HCOO]- 266.10340 169.1
[M+CH3COO]- 280.11905 183.2
[M+Na-2H]- 242.07987 151.4
[M]+ 221.10465 147.3
[M]- 221.10575 147.3
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

patents stripe