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 147.4
[M+Na]+ 227.03484 157.9
[M+NH4]+ 222.07944 158.2
[M+K]+ 243.00878 149.9
[M-H]- 203.03834 155.0
[M+Na-2H]- 225.02029 155.8
[M]+ 204.04507 152.7
[M]- 204.04617 152.7
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.