CID 2763256

126085-91-4

Structural Information

Molecular Formula

C₁₈H₃₃NO₃Sn

SMILES

CCCC[Sn](CCCC)(CCCC)C1=CC(=NO1)C(=O)OCC

InChI

InChI=1S/C6H6NO3.3C4H9.Sn/c1-2-9-6(8)5-3-4-10-7-5;3*1-3-4-2;/h3H,2H2,1H3;3*1,3-4H2,2H3;

InChIKey

LDFBGRFJCWKQCA-UHFFFAOYSA-N

Compound name

ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 161
Patents: 431.14825 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	432.15553	206.5
[M+Na]+	454.13747	210.0
[M-H]-	430.14097	207.2
[M+NH4]+	449.18207	219.0
[M+K]+	470.11141	207.9
[M+H-H2O]+	414.14551	198.0
[M+HCOO]-	476.14645	223.3
[M+CH3COO]-	490.16210	214.8
[M+Na-2H]-	452.12292	204.7
[M]+	431.14770	214.7
[M]-	431.14880	214.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe