PubChemLite - N,n'-ethylenediamine disuccinic acid (C10H16N2O8)

Structural Information

Molecular Formula

SMILES

C(CN[C@@H](CC(=O)O)C(=O)O)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1

InChIKey

VKZRWSNIWNFCIQ-WDSKDSINSA-N

Compound name

(2S)-2-[2-[[(1S)-1,2-dicarboxyethyl]amino]ethylamino]butanedioic 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]+	293.09795	161.6
[M+Na]+	315.07989	162.5
[M-H]-	291.08339	155.4
[M+NH4]+	310.12449	176.2
[M+K]+	331.05383	163.3
[M+H-H2O]+	275.08793	154.9
[M+HCOO]-	337.08887	176.6
[M+CH3COO]-	351.10452	199.5
[M+Na-2H]-	313.06534	158.0
[M]+	292.09012	159.7
[M]-	292.09122	159.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

293.09795

161.6

[M+Na]+

315.07989

162.5

[M-H]-

291.08339

155.4

[M+NH4]+

310.12449

176.2

[M+K]+

331.05383

163.3

[M+H-H2O]+

275.08793

154.9

[M+HCOO]-

337.08887

176.6

[M+CH3COO]-

351.10452

199.5

[M+Na-2H]-

313.06534

158.0

[M]+

292.09012

159.7

[M]-

292.09122

159.7

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

N,n'-ethylenediamine disuccinic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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