CID 105878

Ethylenediaminetetrapropionic acid

Structural Information

Molecular Formula
C14H24N2O8
SMILES
C(CN(CCC(=O)O)CCN(CCC(=O)O)CCC(=O)O)C(=O)O
InChI
InChI=1S/C14H24N2O8/c17-11(18)1-5-15(6-2-12(19)20)9-10-16(7-3-13(21)22)8-4-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey
KWYJDIUEHHCHCZ-UHFFFAOYSA-N
Compound name
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7234
Patents

348.15326 Da
Monoisotopic Mass

-6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16054 178.8
[M+Na]+ 371.14248 204.4
[M+NH4]+ 366.18708 203.0
[M+K]+ 387.11642 200.1
[M-H]- 347.14598 201.0
[M+Na-2H]- 369.12793 174.0
[M]+ 348.15271 199.2
[M]- 348.15381 199.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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