CID 117765

N-(2-acetamido)iminodiacetic acid

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

8953
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

literature stripe

Patent stripe

patents stripe