CID 132327662

1345965-57-2

Structural Information

Molecular Formula
C17H31NO3Sn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CC(=NO1)C(=O)OC
InChI
InChI=1S/C5H4NO3.3C4H9.Sn/c1-8-5(7)4-2-3-9-6-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKey
SZIZAXICPQEVPR-UHFFFAOYSA-N
Compound name
methyl 5-tributylstannyl-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.1326 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.13988 201.9
[M+Na]+ 440.12182 205.8
[M-H]- 416.12532 202.8
[M+NH4]+ 435.16642 215.0
[M+K]+ 456.09576 204.0
[M+H-H2O]+ 400.12986 193.6
[M+HCOO]- 462.13080 219.0
[M+CH3COO]- 476.14645 211.8
[M+Na-2H]- 438.10727 200.6
[M]+ 417.13205 209.7
[M]- 417.13315 209.7
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

No patent data available for this compound.