CID 3897281

3005-68-3

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CNC(C1C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H13NO2/c13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)
InChIKey
VDEMEKSASUGYHM-UHFFFAOYSA-N
Compound name
3-phenylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

853
Patents

191.09464 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 142.0
[M+Na]+ 214.083858 147.8
[M-H]- 190.087364 144.4
[M+NH4]+ 209.128463 160.2
[M+K]+ 230.057798 144.3
[M+H-H2O]+ 174.091900 135.3
[M+HCOO]- 236.092841 160.6
[M+CH3COO]- 250.108491 176.3
[M+Na-2H]- 212.069306 144.3
[M]+ 191.09409142 136.6
[M]- 191.09518858 136.6
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