CID 97297629

2307783-03-3

Structural Information

Molecular Formula
C12H15NO2
SMILES
CN1CC[C@@H]([C@@H]1C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H15NO2/c1-13-8-7-10(12(14)15)11(13)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKey
XPSMPALUSCSMST-QWRGUYRKSA-N
Compound name
(2R,3S)-1-methyl-2-phenylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.6
[M+Na]+ 228.09950 152.3
[M-H]- 204.10300 149.6
[M+NH4]+ 223.14410 164.3
[M+K]+ 244.07344 149.5
[M+H-H2O]+ 188.10754 138.8
[M+HCOO]- 250.10848 165.4
[M+CH3COO]- 264.12413 183.0
[M+Na-2H]- 226.08495 147.2
[M]+ 205.10973 142.9
[M]- 205.11083 142.9
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.