CID 62389917

1250754-10-9

Structural Information

Molecular Formula
C8H12O4S
SMILES
C1CS(=O)(=O)CCC12CC2C(=O)O
InChI
InChI=1S/C8H12O4S/c9-7(10)6-5-8(6)1-3-13(11,12)4-2-8/h6H,1-5H2,(H,9,10)
InChIKey
LDKARROWWIBGLE-UHFFFAOYSA-N
Compound name
6,6-dioxo-6lambda6-thiaspiro[2.5]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.04562 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05290 139.9
[M+Na]+ 227.03484 148.9
[M-H]- 203.03834 145.1
[M+NH4]+ 222.07944 157.7
[M+K]+ 243.00878 147.4
[M+H-H2O]+ 187.04288 136.7
[M+HCOO]- 249.04382 153.5
[M+CH3COO]- 263.05947 180.2
[M+Na-2H]- 225.02029 144.5
[M]+ 204.04507 142.2
[M]- 204.04617 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.