CID 98537

3,3',3''-nitrilotripropionic acid

Structural Information

Molecular Formula
C9H15NO6
SMILES
C(CN(CCC(=O)O)CCC(=O)O)C(=O)O
InChI
InChI=1S/C9H15NO6/c11-7(12)1-4-10(5-2-8(13)14)6-3-9(15)16/h1-6H2,(H,11,12)(H,13,14)(H,15,16)
InChIKey
IWTIBPIVCKUAHK-UHFFFAOYSA-N
Compound name
3-[bis(2-carboxyethyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3068
Patents

233.08994 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09722 151.4
[M+Na]+ 256.07916 155.8
[M+NH4]+ 251.12376 154.2
[M+K]+ 272.05310 155.5
[M-H]- 232.08266 146.2
[M+Na-2H]- 254.06461 149.6
[M]+ 233.08939 149.6
[M]- 233.09049 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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