CID 16683957

5107-59-5

Structural Information

Molecular Formula
C18H31NO2Sn
SMILES
CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=NC=C1
InChI
InChI=1S/C6H5NO2.3C4H9.Sn/c8-6(9)5-1-3-7-4-2-5;3*1-3-4-2;/h1-4H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
UIMCSZIJWRJQSC-UHFFFAOYSA-M
Compound name
tributylstannyl pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

413.1377 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.14498 201.3
[M+Na]+ 436.12692 204.0
[M-H]- 412.13042 201.0
[M+NH4]+ 431.17152 213.7
[M+K]+ 452.10086 200.2
[M+H-H2O]+ 396.13496 192.0
[M+HCOO]- 458.13590 218.0
[M+CH3COO]- 472.15155 211.7
[M+Na-2H]- 434.11237 201.4
[M]+ 413.13715 206.3
[M]- 413.13825 206.3
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