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
1
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]+ 251.04524 157.8
[M+Na]+ 273.02718 162.6
[M-H]- 249.03068 155.8
[M+NH4]+ 268.07178 177.6
[M+K]+ 289.00112 155.6
[M+H-H2O]+ 233.03522 155.1
[M+HCOO]- 295.03616 177.1
[M+CH3COO]- 309.05181 173.8
[M+Na-2H]- 271.01263 161.5
[M]+ 250.03741 158.0
[M]- 250.03851 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.