CID 646078

100390-48-5

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

C1CCN(C1)C(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H15NO2/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,15)

InChIKey

HYOZIYFGQLGJFY-UHFFFAOYSA-N

Compound name

2-phenyl-2-pyrrolidin-1-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 58
Patents: 205.11028 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.117556	146.7
[M+Na]+	228.099498	151.2
[M-H]-	204.103004	150.0
[M+NH4]+	223.144103	164.6
[M+K]+	244.073438	148.8
[M+H-H2O]+	188.107540	139.4
[M+HCOO]-	250.108481	165.4
[M+CH3COO]-	264.124131	181.6
[M+Na-2H]-	226.084946	148.4
[M]+	205.10973142	142.5
[M]-	205.11082858	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe