CID 16684370

Dibutyltin malate

Structural Information

Molecular Formula
C12H22O5Sn
SMILES
CCCC[Sn]1(OC(=O)CC(C(=O)O1)O)CCCC
InChI
InChI=1S/C4H6O5.2C4H9.Sn/c5-2(4(8)9)1-3(6)7;2*1-3-4-2;/h2,5H,1H2,(H,6,7)(H,8,9);2*1,3-4H2,2H3;/q;;;+2/p-2
InChIKey
GGSRTHRSSCWGGK-UHFFFAOYSA-L
Compound name
2,2-dibutyl-5-hydroxy-1,3,2-dioxastannepane-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1952
Patents

366.04892 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.05620 171.0
[M+Na]+ 389.03814 174.2
[M-H]- 365.04164 174.2
[M+NH4]+ 384.08274 184.5
[M+K]+ 405.01208 178.5
[M+H-H2O]+ 349.04618 165.1
[M+HCOO]- 411.04712 186.1
[M+CH3COO]- 425.06277 198.8
[M+Na-2H]- 387.02359 173.0
[M]+ 366.04837 171.3
[M]- 366.04947 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe