CID 86812354

1808331-65-8

Structural Information

Molecular Formula
C12H15NO3
SMILES
COC1=CC=C(C=C1)[C@@H]2CC[C@H](N2)C(=O)O
InChI
InChI=1S/C12H15NO3/c1-16-9-4-2-8(3-5-9)10-6-7-11(13-10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKey
NQDZIUKATYIJFZ-QWRGUYRKSA-N
Compound name
(2S,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 149.1
[M+Na]+ 244.09442 155.2
[M-H]- 220.09792 151.7
[M+NH4]+ 239.13902 166.3
[M+K]+ 260.06836 152.1
[M+H-H2O]+ 204.10246 142.3
[M+HCOO]- 266.10340 167.6
[M+CH3COO]- 280.11905 182.6
[M+Na-2H]- 242.07987 150.2
[M]+ 221.10465 145.9
[M]- 221.10575 145.9
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.