CID 7152

N-(2-hydroxyethyl)iminodiacetic acid

Structural Information

Molecular Formula

C₆H₁₁NO₅

SMILES

C(CO)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C6H11NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h8H,1-4H2,(H,9,10)(H,11,12)

InChIKey

JYXGIOKAKDAARW-UHFFFAOYSA-N

Compound name

2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 26636
Patents: 177.06372 Da
Monoisotopic Mass: -3.5
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]+	178.07100	136.8
[M+Na]+	200.05294	142.6
[M+NH4]+	195.09754	141.1
[M+K]+	216.02688	141.7
[M-H]-	176.05644	132.7
[M+Na-2H]-	198.03839	136.7
[M]+	177.06317	135.7
[M]-	177.06427	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe