CID 12959053

1,2-thiazetidine-1,1-dione

Structural Information

Molecular Formula
C2H5NO2S
SMILES
C1CS(=O)(=O)N1
InChI
InChI=1S/C2H5NO2S/c4-6(5)2-1-3-6/h3H,1-2H2
InChIKey
GNPXXOFTVXIOLF-UHFFFAOYSA-N
Compound name
thiazetidine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

107.0041 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.01138 111.4
[M+Na]+ 129.99332 118.7
[M-H]- 105.99682 112.7
[M+NH4]+ 125.03792 127.9
[M+K]+ 145.96726 120.5
[M+H-H2O]+ 90.001360 102.1
[M+HCOO]- 152.00230 127.4
[M+CH3COO]- 166.01795 162.8
[M+Na-2H]- 127.97877 117.4
[M]+ 107.00355 119.4
[M]- 107.00465 119.4
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.