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

3162
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 150.5
[M+Na]+ 256.07916 154.3
[M-H]- 232.08266 147.4
[M+NH4]+ 251.12376 165.9
[M+K]+ 272.05310 154.7
[M+H-H2O]+ 216.08720 144.7
[M+HCOO]- 278.08814 169.3
[M+CH3COO]- 292.10379 189.3
[M+Na-2H]- 254.06461 150.4
[M]+ 233.08939 152.2
[M]- 233.09049 152.2
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

patents stripe