CID 130774096

2-(1h-1,2,3-triazole-5-sulfonyl)ethan-1-ol

Structural Information

Molecular Formula

C₄H₇N₃O₃S

SMILES

C1=NNN=C1S(=O)(=O)CCO

InChI

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

InChIKey

MFKWFYYNEMMJAZ-UHFFFAOYSA-N

Compound name

2-(2H-triazol-4-ylsulfonyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 177.02081 Da
Monoisotopic Mass: -1.5
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	134.8
[M+Na]+	200.01003	144.5
[M-H]-	176.01353	132.5
[M+NH4]+	195.05463	151.8
[M+K]+	215.98397	141.7
[M+H-H2O]+	160.01807	128.7
[M+HCOO]-	222.01901	149.1
[M+CH3COO]-	236.03466	168.1
[M+Na-2H]-	197.99548	139.1
[M]+	177.02026	135.9
[M]-	177.02136	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe