PubChemLite - N-(2-hydroxyethyl)ethylenediaminetriacetic acid (C10H18N2O7)

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₇

SMILES

C(CN(CC(=O)O)CC(=O)O)N(CCO)CC(=O)O

InChI

InChI=1S/C10H18N2O7/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)

InChIKey

URDCARMUOSMFFI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

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]+	279.11868	160.4
[M+Na]+	301.10062	162.4
[M-H]-	277.10412	157.0
[M+NH4]+	296.14522	173.3
[M+K]+	317.07456	164.0
[M+H-H2O]+	261.10866	153.6
[M+HCOO]-	323.10960	179.0
[M+CH3COO]-	337.12525	201.0
[M+Na-2H]-	299.08607	159.0
[M]+	278.11085	162.3
[M]-	278.11195	162.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

279.11868

160.4

[M+Na]+

301.10062

162.4

[M-H]-

277.10412

157.0

[M+NH4]+

296.14522

173.3

[M+K]+

317.07456

164.0

[M+H-H2O]+

261.10866

153.6

[M+HCOO]-

323.10960

179.0

[M+CH3COO]-

337.12525

201.0

[M+Na-2H]-

299.08607

159.0

[M]+

278.11085

162.3

[M]-

278.11195

162.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-(2-hydroxyethyl)ethylenediaminetriacetic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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