CID 54267

Monobutyltin

Structural Information

Molecular Formula
C4H9Sn
SMILES
CCCC[Sn+3]
InChI
InChI=1S/C4H9.Sn/c1-3-4-2;/h1,3-4H2,2H3;/q;+3
InChIKey
NPAIMXWXWPJRES-UHFFFAOYSA-N
Compound name
butyltin(3+)
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

52
References

2608
Patents

176.97263 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.97991 134.1
[M+Na]+ 199.96185 141.2
[M-H]- 175.96535 134.3
[M+NH4]+ 195.00645 157.6
[M+K]+ 215.93579 135.7
[M+H-H2O]+ 159.96989 132.3
[M+HCOO]- 221.97083 157.0
[M+CH3COO]- 235.98648 162.0
[M+Na-2H]- 197.94730 142.0
[M]+ 176.97208 134.0
[M]- 176.97318 134.0
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

patents stripe