CID 3157177

1100203-58-4

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CC(C(=O)O)N1CCCC1

InChI

InChI=1S/C7H13NO2/c1-6(7(9)10)8-4-2-3-5-8/h6H,2-5H2,1H3,(H,9,10)

InChIKey

HAEBOIOLDSOIGG-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 120
Patents: 143.09464 Da
Monoisotopic Mass: -1.5
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	140.1
[M+NH4]+	161.12846	139.2
[M+K]+	182.05780	138.2
[M-H]-	142.08736	131.0
[M+Na-2H]-	164.06931	134.6
[M]+	143.09409	132.4
[M]-	143.09519	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe