CID 18957503

2-[(4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)oxy]acetic acid

Structural Information

Molecular Formula
C5H5N3O5
SMILES
C(C(=O)O)OC1=NC(=O)NC(=O)N1
InChI
InChI=1S/C5H5N3O5/c9-2(10)1-13-5-7-3(11)6-4(12)8-5/h1H2,(H,9,10)(H2,6,7,8,11,12)
InChIKey
UMNCDHMPZYSSGV-UHFFFAOYSA-N
Compound name
2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

187.02292 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03020 133.1
[M+Na]+ 210.01214 142.9
[M-H]- 186.01564 129.5
[M+NH4]+ 205.05674 146.6
[M+K]+ 225.98608 140.1
[M+H-H2O]+ 170.02018 126.0
[M+HCOO]- 232.02112 151.0
[M+CH3COO]- 246.03677 171.6
[M+Na-2H]- 207.99759 139.2
[M]+ 187.02237 132.6
[M]- 187.02347 132.6
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

patents stripe