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

75
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

literature stripe

Patent stripe

patents stripe