CID 117273724

2-(4,4-dioxo-1,4lambda6-oxathian-2-yl)acetic acid

Structural Information

Molecular Formula
C6H10O5S
SMILES
C1CS(=O)(=O)CC(O1)CC(=O)O
InChI
InChI=1S/C6H10O5S/c7-6(8)3-5-4-12(9,10)2-1-11-5/h5H,1-4H2,(H,7,8)
InChIKey
XJBGYYYSARCOPC-UHFFFAOYSA-N
Compound name
2-(4,4-dioxo-1,4-oxathian-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.02489 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03217 134.4
[M+Na]+ 217.01411 141.4
[M-H]- 193.01761 137.2
[M+NH4]+ 212.05871 153.9
[M+K]+ 232.98805 141.4
[M+H-H2O]+ 177.02215 130.3
[M+HCOO]- 239.02309 148.5
[M+CH3COO]- 253.03874 174.2
[M+Na-2H]- 214.99956 138.7
[M]+ 194.02434 135.2
[M]- 194.02544 135.2
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

No patent data available for this compound.