CID 666621

113561-30-1

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

C1CC(=NC1)NCC(=O)O

InChI

InChI=1S/C6H10N2O2/c9-6(10)4-8-5-2-1-3-7-5/h1-4H2,(H,7,8)(H,9,10)

InChIKey

AGVKQUSRKNOGRP-UHFFFAOYSA-N

Compound name

2-(3,4-dihydro-2H-pyrrol-5-ylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2
Patents: 142.07423 Da
Monoisotopic Mass: -0.9
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]+	143.08151	128.7
[M+Na]+	165.06345	134.9
[M-H]-	141.06695	129.4
[M+NH4]+	160.10805	149.4
[M+K]+	181.03739	134.1
[M+H-H2O]+	125.07149	122.4
[M+HCOO]-	187.07243	151.4
[M+CH3COO]-	201.08808	170.8
[M+Na-2H]-	163.04890	133.8
[M]+	142.07368	126.0
[M]-	142.07478	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe