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
1
Annotation Hits

1
References

26
Patents

107.0041 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.01138 117.1
[M+Na]+ 129.99332 124.5
[M-H]- 105.99682 116.7
[M+NH4]+ 125.03792 139.3
[M+K]+ 145.96726 123.7
[M+H-H2O]+ 90.001360 112.6
[M+HCOO]- 152.00230 134.7
[M+CH3COO]- 166.01795 164.3
[M+Na-2H]- 127.97877 119.9
[M]+ 107.00355 116.2
[M]- 107.00465 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