CID 105372

Potassium nickel ethylenediaminetetraacetate

Structural Information

Molecular Formula
C10H16N2O8
SMILES
COC(=O)N(CCN(CC(=O)O)C(=O)OC)CC(=O)O
InChI
InChI=1S/C10H16N2O8/c1-19-9(17)11(5-7(13)14)3-4-12(6-8(15)16)10(18)20-2/h3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKey
APHGZMQEAHAYFM-UHFFFAOYSA-N
Compound name
2-[2-[carboxymethyl(methoxycarbonyl)amino]ethyl-methoxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

292.09067 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09795 160.7
[M+Na]+ 315.07989 163.9
[M-H]- 291.08339 160.5
[M+NH4]+ 310.12449 191.4
[M+K]+ 331.05383 167.8
[M+H-H2O]+ 275.08793 153.8
[M+HCOO]- 337.08887 185.3
[M+CH3COO]- 351.10452 205.3
[M+Na-2H]- 313.06534 159.6
[M]+ 292.09012 166.4
[M]- 292.09122 166.4
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.