CID 13540

923-73-9

Structural Information

Molecular Formula
C12H20N2O9
SMILES
C(COCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C12H20N2O9/c15-9(16)5-13(6-10(17)18)1-3-23-4-2-14(7-11(19)20)8-12(21)22/h1-8H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKey
SLVOVFVZZFUEAS-UHFFFAOYSA-N
Compound name
2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

1744
Patents

336.11688 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12416 172.5
[M+Na]+ 359.10610 199.5
[M+NH4]+ 354.15070 198.9
[M+K]+ 375.08004 195.3
[M-H]- 335.10960 197.4
[M+Na-2H]- 357.09155 167.7
[M]+ 336.11633 194.9
[M]- 336.11743 194.9
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