CID 5073653

13924-15-7

Structural Information

Molecular Formula

C₄H₃N₃O₄

SMILES

C1(=NNC(=O)NC1=O)C(=O)O

InChI

InChI=1S/C4H3N3O4/c8-2-1(3(9)10)6-7-4(11)5-2/h(H,9,10)(H2,5,7,8,11)

InChIKey

PLKNGGRZZIWWLD-UHFFFAOYSA-N

Compound name

3,5-dioxo-2H-1,2,4-triazine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 140
Patents: 157.01236 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	158.01964	127.9
[M+Na]+	180.00158	139.0
[M+NH4]+	175.04618	131.9
[M+K]+	195.97552	136.8
[M-H]-	156.00508	124.3
[M+Na-2H]-	177.98703	131.4
[M]+	157.01181	127.8
[M]-	157.01291	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe