CID 130715746

1849399-49-0

Structural Information

Molecular Formula

C₄H₇N₃O₃S

SMILES

C1=NNC(=N1)S(=O)(=O)CCO

InChI

InChI=1S/C4H7N3O3S/c8-1-2-11(9,10)4-5-3-6-7-4/h3,8H,1-2H2,(H,5,6,7)

InChIKey

KYZCSMXBYKAMAW-UHFFFAOYSA-N

Compound name

2-(1H-1,2,4-triazol-5-ylsulfonyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.02081 Da
Monoisotopic Mass: -1.1
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]+	178.02809	135.9
[M+Na]+	200.01003	144.7
[M+NH4]+	195.05463	141.1
[M+K]+	215.98397	141.8
[M-H]-	176.01353	132.4
[M+Na-2H]-	197.99548	138.4
[M]+	177.02026	136.1
[M]-	177.02136	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.