CID 67758301

1938073-11-0

Structural Information

Molecular Formula
C12H15NO3
SMILES
COC1=CC=CC(=C1)[C@H]2[C@H](CCN2)C(=O)O
InChI
InChI=1S/C12H15NO3/c1-16-9-4-2-3-8(7-9)11-10(12(14)15)5-6-13-11/h2-4,7,10-11,13H,5-6H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKey
BEQFGVOUHJNOCT-QWRGUYRKSA-N
Compound name
(2R,3S)-2-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

221.1052 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 150.2
[M+Na]+ 244.09442 160.3
[M+NH4]+ 239.13902 157.0
[M+K]+ 260.06836 157.3
[M-H]- 220.09792 151.2
[M+Na-2H]- 242.07987 154.7
[M]+ 221.10465 151.5
[M]- 221.10575 151.5
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