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]+ 163.98345 128.0
[M+Na]+ 185.96539 138.3
[M-H]- 161.96889 129.9
[M+NH4]+ 181.00999 149.4
[M+K]+ 201.93933 135.4
[M+H-H2O]+ 145.97343 123.2
[M+HCOO]- 207.97437 140.6
[M+CH3COO]- 221.99002 170.6
[M+Na-2H]- 183.95084 128.1
[M]+ 162.97562 130.5
[M]- 162.97672 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.