CID 67879598

1,1-dioxo-1lambda6-thietane-2-carboxylic acid

Structural Information

Molecular Formula
C4H6O4S
SMILES
C1CS(=O)(=O)C1C(=O)O
InChI
InChI=1S/C4H6O4S/c5-4(6)3-1-2-9(3,7)8/h3H,1-2H2,(H,5,6)
InChIKey
WCZPHNHOIGWYQX-UHFFFAOYSA-N
Compound name
1,1-dioxothietane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.99867 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.00595 126.1
[M+Na]+ 172.98789 130.6
[M+NH4]+ 168.03249 130.4
[M+K]+ 188.96183 126.2
[M-H]- 148.99139 122.2
[M+Na-2H]- 170.97334 127.8
[M]+ 149.99812 124.7
[M]- 149.99922 124.7
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.