CID 59908

N-hydroxymethylethylenediaminetriacetic acid

Structural Information

Molecular Formula
C9H16N2O7
SMILES
C(CN(CC(=O)O)CO)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C9H16N2O7/c12-6-11(5-9(17)18)2-1-10(3-7(13)14)4-8(15)16/h12H,1-6H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey
WWXISJJRNIVDIP-UHFFFAOYSA-N
Compound name
2-[carboxymethyl-[2-[carboxymethyl(hydroxymethyl)amino]ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

364
Patents

264.09576 Da
Monoisotopic Mass

-6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10304 157.3
[M+Na]+ 287.08498 159.5
[M+NH4]+ 282.12958 158.7
[M+K]+ 303.05892 161.0
[M-H]- 263.08848 151.4
[M+Na-2H]- 285.07043 154.4
[M]+ 264.09521 154.8
[M]- 264.09631 154.8
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

patents stripe