CID 69034047

2172154-05-9

Structural Information

Molecular Formula

C₄H₅NO₂S₂

SMILES

CC1=NC(=CS1)S(=O)O

InChI

InChI=1S/C4H5NO2S2/c1-3-5-4(2-8-3)9(6)7/h2H,1H3,(H,6,7)

InChIKey

NMXODJYWJFMQNS-UHFFFAOYSA-N

Compound name

2-methyl-1,3-thiazole-4-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.97617 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]+	163.98345	130.6
[M+Na]+	185.96539	140.4
[M+NH4]+	181.00999	138.9
[M+K]+	201.93933	134.2
[M-H]-	161.96889	130.8
[M+Na-2H]-	183.95084	133.6
[M]+	162.97562	132.7
[M]-	162.97672	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.