CID 13517396

519055-67-5

Structural Information

Molecular Formula

C₄H₆N₂O₂S₂

SMILES

CC1=NC=C(S1)S(=O)(=O)N

InChI

InChI=1S/C4H6N2O2S2/c1-3-6-2-4(9-3)10(5,7)8/h2H,1H3,(H2,5,7,8)

InChIKey

SVVRRPMUSIFOOP-UHFFFAOYSA-N

Compound name

2-methyl-1,3-thiazole-5-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 177.98708 Da
Monoisotopic Mass: 0.3
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]+	178.994356	133.7
[M+Na]+	200.976298	144.3
[M-H]-	176.979804	136.3
[M+NH4]+	196.020903	154.5
[M+K]+	216.950238	140.8
[M+H-H2O]+	160.984340	128.5
[M+HCOO]-	222.985281	147.7
[M+CH3COO]-	237.000931	175.8
[M+Na-2H]-	198.961746	135.5
[M]+	177.98653142	135.5
[M]-	177.98762858	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe