CID 117765

26239-55-4

Structural Information

Molecular Formula
C6H10N2O5
SMILES
C(C(=O)N)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
InChIKey
QZTKDVCDBIDYMD-UHFFFAOYSA-N
Compound name
2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

8484
Patents

190.05898 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06626 138.3
[M+Na]+ 213.04820 143.0
[M-H]- 189.05170 136.7
[M+NH4]+ 208.09280 155.5
[M+K]+ 229.02214 144.1
[M+H-H2O]+ 173.05624 132.4
[M+HCOO]- 235.05718 159.7
[M+CH3COO]- 249.07283 185.3
[M+Na-2H]- 211.03365 139.2
[M]+ 190.05843 137.4
[M]- 190.05953 137.4
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.