CID 15077126

89502-04-5

Structural Information

Molecular Formula

C₅H₆N₂O₄S₂

SMILES

COC(=O)C1=C(SC=N1)S(=O)(=O)N

InChI

InChI=1S/C5H6N2O4S2/c1-11-4(8)3-5(12-2-7-3)13(6,9)10/h2H,1H3,(H2,6,9,10)

InChIKey

BPLOHXUVMDRKPV-UHFFFAOYSA-N

Compound name

methyl 5-sulfamoyl-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 221.9769 Da
Monoisotopic Mass: 0.0
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]+	222.98418	144.4
[M+Na]+	244.96612	153.9
[M-H]-	220.96962	146.8
[M+NH4]+	240.01072	163.1
[M+K]+	260.94006	151.0
[M+H-H2O]+	204.97416	138.8
[M+HCOO]-	266.97510	157.7
[M+CH3COO]-	280.99075	182.2
[M+Na-2H]-	242.95157	145.5
[M]+	221.97635	147.9
[M]-	221.97745	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe