CID 223763

Bis(2-carboxyethyl) isocyanurate

Structural Information

Molecular Formula
C9H11N3O7
SMILES
C(CN1C(=O)NC(=O)N(C1=O)CCC(=O)O)C(=O)O
InChI
InChI=1S/C9H11N3O7/c13-5(14)1-3-11-7(17)10-8(18)12(9(11)19)4-2-6(15)16/h1-4H2,(H,13,14)(H,15,16)(H,10,17,18)
InChIKey
JCUMQTAAEUDUPK-UHFFFAOYSA-N
Compound name
3-[3-(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

521
Patents

273.0597 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06698 152.1
[M+Na]+ 296.04892 161.8
[M-H]- 272.05242 148.8
[M+NH4]+ 291.09352 162.2
[M+K]+ 312.02286 158.8
[M+H-H2O]+ 256.05696 144.7
[M+HCOO]- 318.05790 168.4
[M+CH3COO]- 332.07355 190.6
[M+Na-2H]- 294.03437 154.0
[M]+ 273.05915 154.7
[M]- 273.06025 154.7
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.