CID 6455986

Dtxsid60988017

Structural Information

Molecular Formula
C9H18N2O5
SMILES
C(COCCN(CCN)CC(=O)O)C(=O)O
InChI
InChI=1S/C9H18N2O5/c10-2-3-11(7-9(14)15)4-6-16-5-1-8(12)13/h1-7,10H2,(H,12,13)(H,14,15)
InChIKey
GRMJCMDTEFYTJF-UHFFFAOYSA-N
Compound name
3-[2-[2-aminoethyl(carboxymethyl)amino]ethoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.12157 Da
Monoisotopic Mass

-6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.128846 152.7
[M+Na]+ 257.110788 156.0
[M-H]- 233.114294 150.4
[M+NH4]+ 252.155393 168.3
[M+K]+ 273.084728 156.5
[M+H-H2O]+ 217.118830 146.1
[M+HCOO]- 279.119771 173.9
[M+CH3COO]- 293.135421 194.1
[M+Na-2H]- 255.096236 153.4
[M]+ 234.12102142 154.3
[M]- 234.12211858 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.