CID 154577316

2418708-70-8

Structural Information

Molecular Formula
C7H10O5S
SMILES
C1C(C2(COC2)CS1(=O)=O)C(=O)O
InChI
InChI=1S/C7H10O5S/c8-6(9)5-1-13(10,11)4-7(5)2-12-3-7/h5H,1-4H2,(H,8,9)
InChIKey
BAYOEORUPYECMW-UHFFFAOYSA-N
Compound name
6,6-dioxo-2-oxa-6lambda6-thiaspiro[3.4]octane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.02489 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03217 132.1
[M+Na]+ 229.01411 138.0
[M-H]- 205.01761 137.1
[M+NH4]+ 224.05871 148.4
[M+K]+ 244.98805 140.9
[M+H-H2O]+ 189.02215 124.8
[M+HCOO]- 251.02309 146.1
[M+CH3COO]- 265.03874 178.7
[M+Na-2H]- 226.99956 136.4
[M]+ 206.02434 142.2
[M]- 206.02544 142.2
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.