CID 15157507

1-phenylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CC(N(C1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H13NO2/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,14)
InChIKey
ZZMSDLWVAMNVOD-UHFFFAOYSA-N
Compound name
1-phenylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

284
Patents

191.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.4
[M+Na]+ 214.08386 147.6
[M-H]- 190.08736 145.2
[M+NH4]+ 209.12846 160.3
[M+K]+ 230.05780 145.0
[M+H-H2O]+ 174.09190 134.5
[M+HCOO]- 236.09284 161.6
[M+CH3COO]- 250.10849 178.8
[M+Na-2H]- 212.06931 144.2
[M]+ 191.09409 137.9
[M]- 191.09519 137.9
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

patents stripe