CID 54461406

95209-82-8

Structural Information

Molecular Formula
C5H5N3O4
SMILES
C1=NN(C(=O)NC1=O)CC(=O)O
InChI
InChI=1S/C5H5N3O4/c9-3-1-6-8(2-4(10)11)5(12)7-3/h1H,2H2,(H,10,11)(H,7,9,12)
InChIKey
XBWHZWHVKVKGDT-UHFFFAOYSA-N
Compound name
2-(3,5-dioxo-1,2,4-triazin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.028 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.03528 131.7
[M+Na]+ 194.01722 143.1
[M+NH4]+ 189.06182 135.9
[M+K]+ 209.99116 140.4
[M-H]- 170.02072 128.6
[M+Na-2H]- 192.00267 135.6
[M]+ 171.02745 131.9
[M]- 171.02855 131.9
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.