CID 155820871

2490406-03-4

Structural Information

Molecular Formula
C9H14O4S
SMILES
C1CCC2(CC1)CC(S2(=O)=O)C(=O)O
InChI
InChI=1S/C9H14O4S/c10-8(11)7-6-9(14(7,12)13)4-2-1-3-5-9/h7H,1-6H2,(H,10,11)
InChIKey
KFDOAMZHCIDSOE-UHFFFAOYSA-N
Compound name
1,1-dioxo-1lambda6-thiaspiro[3.5]nonane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06128 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06856 140.4
[M+Na]+ 241.05050 144.9
[M-H]- 217.05400 144.0
[M+NH4]+ 236.09510 155.6
[M+K]+ 257.02444 146.1
[M+H-H2O]+ 201.05854 131.6
[M+HCOO]- 263.05948 152.1
[M+CH3COO]- 277.07513 182.8
[M+Na-2H]- 239.03595 143.6
[M]+ 218.06073 147.1
[M]- 218.06183 147.1
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.