CID 83088

Uramil-n,n-diacetic acid

Structural Information

Molecular Formula
C8H9N3O7
SMILES
C(C(=O)O)N(CC(=O)O)C1C(=O)NC(=O)NC1=O
InChI
InChI=1S/C8H9N3O7/c12-3(13)1-11(2-4(14)15)5-6(16)9-8(18)10-7(5)17/h5H,1-2H2,(H,12,13)(H,14,15)(H2,9,10,16,17,18)
InChIKey
QDHGQJQZPJPKJK-UHFFFAOYSA-N
Compound name
2-[carboxymethyl-(2,4,6-trioxo-1,3-diazinan-5-yl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

262
Patents

259.04404 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05132 149.7
[M+Na]+ 282.03326 155.0
[M-H]- 258.03676 146.5
[M+NH4]+ 277.07786 160.7
[M+K]+ 298.00720 153.8
[M+H-H2O]+ 242.04130 143.0
[M+HCOO]- 304.04224 163.5
[M+CH3COO]- 318.05789 190.8
[M+Na-2H]- 280.01871 149.5
[M]+ 259.04349 145.6
[M]- 259.04459 145.6
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