CID 16684109

67859-55-6

Structural Information

Molecular Formula
C12H22O4SSn
SMILES
CCCC[Sn]1(OC(=O)CC(S1)C(=O)O)CCCC
InChI
InChI=1S/C4H6O4S.2C4H9.Sn/c5-3(6)1-2(9)4(7)8;2*1-3-4-2;/h2,9H,1H2,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey
LVYHWZLVISKZHG-UHFFFAOYSA-L
Compound name
2,2-dibutyl-6-oxo-1,3,2-oxathiastanninane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

382.0261 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.03338 181.5
[M+Na]+ 405.01532 185.4
[M-H]- 381.01882 182.5
[M+NH4]+ 400.05992 197.0
[M+K]+ 420.98926 183.4
[M+H-H2O]+ 365.02336 175.4
[M+HCOO]- 427.02430 191.8
[M+CH3COO]- 441.03995 199.0
[M+Na-2H]- 403.00077 179.6
[M]+ 382.02555 184.4
[M]- 382.02665 184.4
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

patents stripe