CID 14948771

34550-41-9

Structural Information

Molecular Formula

C₄H₃N₃O₄

SMILES

C1(=NC(=NN1)C(=O)O)C(=O)O

InChI

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

InChIKey

UJXWDYHVZBKHMB-UHFFFAOYSA-N

Compound name

1H-1,2,4-triazole-3,5-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 142
Patents: 157.01236 Da
Monoisotopic Mass: -0.3
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	129.6
[M+Na]+	180.00158	137.9
[M+NH4]+	175.04618	133.5
[M+K]+	195.97552	138.9
[M-H]-	156.00508	125.1
[M+Na-2H]-	177.98703	131.3
[M]+	157.01181	128.7
[M]-	157.01291	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe