CID 558407

76234-38-3

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1CCN(C1)CCC(=O)O

InChI

InChI=1S/C7H13NO2/c9-7(10)3-6-8-4-1-2-5-8/h1-6H2,(H,9,10)

InChIKey

BRSKDXVJFXXUKX-UHFFFAOYSA-N

Compound name

3-pyrrolidin-1-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1294
Patents: 143.09464 Da
Monoisotopic Mass: -2.0
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]+	144.10192	132.0
[M+Na]+	166.08386	140.4
[M+NH4]+	161.12846	139.4
[M+K]+	182.05780	137.7
[M-H]-	142.08736	131.3
[M+Na-2H]-	164.06931	135.0
[M]+	143.09409	132.5
[M]-	143.09519	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe