CID 9543254

Beta-hydroxybutylbutyltin

Structural Information

Molecular Formula
C8H18OSn
SMILES
CCCC[Sn+2]CC(CC)O
InChI
InChI=1S/C4H9O.C4H9.Sn/c1-3-4(2)5;1-3-4-2;/h4-5H,2-3H2,1H3;1,3-4H2,2H3;/q;;+2
InChIKey
NJYFFPJVDMHGJH-UHFFFAOYSA-N
Compound name
butyl(2-hydroxybutyl)tin(2+)
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

250.03796 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.045236 157.8
[M+Na]+ 273.027178 162.6
[M-H]- 249.030684 155.8
[M+NH4]+ 268.071783 177.6
[M+K]+ 289.001118 155.6
[M+H-H2O]+ 233.035220 155.1
[M+HCOO]- 295.036161 177.1
[M+CH3COO]- 309.051811 173.8
[M+Na-2H]- 271.012626 161.5
[M]+ 250.03741142 158.0
[M]- 250.03850858 158.0
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

No patent data available for this compound.