CID 91821115

1674389-78-6

Structural Information

Molecular Formula

C₄H₅N₃O₃

SMILES

C1=NC(=O)NN1CC(=O)O

InChI

InChI=1S/C4H5N3O3/c8-3(9)1-7-2-5-4(10)6-7/h2H,1H2,(H,6,10)(H,8,9)

InChIKey

UVDHKCKGFQOYAM-UHFFFAOYSA-N

Compound name

2-(5-oxo-1H-1,2,4-triazol-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 143.0331 Da
Monoisotopic Mass: -1.0
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]+	144.04038	126.7
[M+Na]+	166.02232	136.4
[M+NH4]+	161.06692	131.6
[M+K]+	181.99626	135.6
[M-H]-	142.02582	123.4
[M+Na-2H]-	164.00777	129.8
[M]+	143.03255	126.5
[M]-	143.03365	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.