CID 10313156

Sodium 2-[(3-hydroxypropyl)amino]acetate

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

C(CNCC(=O)O)CO

InChI

InChI=1S/C5H11NO3/c7-3-1-2-6-4-5(8)9/h6-7H,1-4H2,(H,8,9)

InChIKey

QIVWFDDLWNUYST-UHFFFAOYSA-N

Compound name

2-(3-hydroxypropylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 50
Patents: 133.0739 Da
Monoisotopic Mass: -3.2
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]+	134.08118	127.0
[M+Na]+	156.06312	134.6
[M+NH4]+	151.10772	133.2
[M+K]+	172.03706	131.3
[M-H]-	132.06662	124.8
[M+Na-2H]-	154.04857	128.9
[M]+	133.07335	126.9
[M]-	133.07445	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe