CID 11949600

Thioacetamide s,s-dioxide

Structural Information

Molecular Formula
C2H5NO2S
SMILES
CC(=N)S(=O)O
InChI
InChI=1S/C2H5NO2S/c1-2(3)6(4)5/h3H,1H3,(H,4,5)
InChIKey
JOYNDQYBPYVYKZ-UHFFFAOYSA-N
Compound name
1-iminoethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

28
Patents

107.0041 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.011376 117.1
[M+Na]+ 129.993318 124.5
[M-H]- 105.996824 116.7
[M+NH4]+ 125.037923 139.3
[M+K]+ 145.967258 123.7
[M+H-H2O]+ 90.001360 112.6
[M+HCOO]- 152.002301 134.7
[M+CH3COO]- 166.017951 164.3
[M+Na-2H]- 127.978766 119.9
[M]+ 107.00355142 116.2
[M]- 107.00464858 116.2
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

patents stripe