CID 1502074

80616-50-8

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1CNC[C@H]1CC(=O)O

InChI

InChI=1S/C6H11NO2/c8-6(9)3-5-1-2-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1

InChIKey

OUENRUZPZZFMCA-RXMQYKEDSA-N

Compound name

2-[(3R)-pyrrolidin-3-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 381
Patents: 129.07898 Da
Monoisotopic Mass: -2.6
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]+	130.08626	128.0
[M+Na]+	152.06820	136.1
[M+NH4]+	147.11280	135.1
[M+K]+	168.04214	133.9
[M-H]-	128.07170	126.7
[M+Na-2H]-	150.05365	130.6
[M]+	129.07843	128.3
[M]-	129.07953	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe