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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.983446 128.0
[M+Na]+ 185.965388 138.3
[M-H]- 161.968894 129.9
[M+NH4]+ 181.009993 149.4
[M+K]+ 201.939328 135.4
[M+H-H2O]+ 145.973430 123.2
[M+HCOO]- 207.974371 140.6
[M+CH3COO]- 221.990021 170.6
[M+Na-2H]- 183.950836 128.1
[M]+ 162.97562142 130.5
[M]- 162.97671858 130.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.