CID 167722322

2919940-69-3

Structural Information

Molecular Formula
C14H19NO3
SMILES
COC(=O)C[C@@H]1C[C@H](CN1)OCC2=CC=CC=C2
InChI
InChI=1S/C14H19NO3/c1-17-14(16)8-12-7-13(9-15-12)18-10-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3/t12-,13+/m0/s1
InChIKey
NRKASIKRTOLJCI-QWHCGFSZSA-N
Compound name
methyl 2-[(2S,4R)-4-phenylmethoxypyrrolidin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13649 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 159.2
[M+Na]+ 272.12571 169.1
[M+NH4]+ 267.17031 166.1
[M+K]+ 288.09965 165.1
[M-H]- 248.12921 160.6
[M+Na-2H]- 270.11116 164.0
[M]+ 249.13594 160.7
[M]- 249.13704 160.7
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.