CID 166909

Glycine, n,n'-(iminodi-2,1-ethanediyl)bis(n-(carboxymethyl)-, tetrasodium salt

Structural Information

Molecular Formula
C12H21N3O8
SMILES
C(CN(CC(=O)O)CC(=O)O)NCCN(CC(=O)O)CC(=O)O
InChI
InChI=1S/C12H21N3O8/c16-9(17)5-14(6-10(18)19)3-1-13-2-4-15(7-11(20)21)8-12(22)23/h13H,1-8H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)
InChIKey
AGMNQPKGRCRYQP-UHFFFAOYSA-N
Compound name
2-[2-[2-[bis(carboxymethyl)amino]ethylamino]ethyl-(carboxymethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

1220
Patents

335.13287 Da
Monoisotopic Mass

-8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.14015 172.5
[M+Na]+ 358.12209 172.5
[M-H]- 334.12559 198.2
[M+NH4]+ 353.16669 195.0
[M+K]+ 374.09603 174.8
[M+H-H2O]+ 318.13013 164.7
[M+HCOO]- 380.13107 187.9
[M+CH3COO]- 394.14672 215.0
[M+Na-2H]- 356.10754 169.7
[M]+ 335.13232 174.4
[M]- 335.13342 174.4
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