CID 8773

N-(2-hydroxyethyl)ethylenediaminetriacetic acid

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

compound 2d structure
7
Annotation Hits

100
References

52119
Patents

278.1114 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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 (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.