CID 51063832

1-phenylpyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CN(CC1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO2/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14)
InChIKey
IOFLKIRLUFZCHR-UHFFFAOYSA-N
Compound name
1-phenylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

61
Patents

191.09464 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 142.6
[M+Na]+ 214.08386 153.6
[M+NH4]+ 209.12846 150.6
[M+K]+ 230.05780 149.8
[M-H]- 190.08736 144.7
[M+Na-2H]- 212.06931 148.7
[M]+ 191.09409 144.5
[M]- 191.09519 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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