CID 15100223

1-methyl-1h-imidazole-5-sulfonic acid hydrochloride

Structural Information

Molecular Formula

C₄H₆N₂O₃S

SMILES

CN1C=NC=C1S(=O)(=O)O

InChI

InChI=1S/C4H6N2O3S/c1-6-3-5-2-4(6)10(7,8)9/h2-3H,1H3,(H,7,8,9)

InChIKey

XXVOBGAZKHZGSI-UHFFFAOYSA-N

Compound name

3-methylimidazole-4-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 162.00992 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]+	163.01720	132.1
[M+Na]+	184.99914	142.1
[M+NH4]+	180.04374	138.5
[M+K]+	200.97308	138.8
[M-H]-	161.00264	130.1
[M+Na-2H]-	182.98459	135.5
[M]+	162.00937	133.1
[M]-	162.01047	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe