CID 105428407

Triadimenol metabolite p08

Structural Information

Molecular Formula

C₄H₅N₃O₃

SMILES

C1=NN(C=N1)C(C(=O)O)O

InChI

InChI=1S/C4H5N3O3/c8-3(4(9)10)7-2-5-1-6-7/h1-3,8H,(H,9,10)

InChIKey

AHMGWEOLNJUSQD-UHFFFAOYSA-N

Compound name

2-hydroxy-2-(1,2,4-triazol-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 143.0331 Da
Monoisotopic Mass: -0.9
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]+	144.040376	125.8
[M+Na]+	166.022318	133.9
[M-H]-	142.025824	123.1
[M+NH4]+	161.066923	143.2
[M+K]+	181.996258	133.3
[M+H-H2O]+	126.030360	118.6
[M+HCOO]-	188.031301	144.6
[M+CH3COO]-	202.046951	166.4
[M+Na-2H]-	164.007766	130.7
[M]+	143.03255142	124.6
[M]-	143.03364858	124.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.