CID 16683226

Nsc645568

Structural Information

Molecular Formula
C11H16O3Sn
SMILES
C[Sn](C)(C)OC(=O)C(C1=CC=CC=C1)O
InChI
InChI=1S/C8H8O3.3CH3.Sn/c9-7(8(10)11)6-4-2-1-3-5-6;;;;/h1-5,7,9H,(H,10,11);3*1H3;/q;;;;+1/p-1
InChIKey
LVPYOLPVOJTSIN-UHFFFAOYSA-M
Compound name
trimethylstannyl 2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.01215 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.01943 167.6
[M+Na]+ 339.00137 172.7
[M-H]- 315.00487 168.9
[M+NH4]+ 334.04597 184.6
[M+K]+ 354.97531 171.0
[M+H-H2O]+ 299.00941 161.1
[M+HCOO]- 361.01035 185.9
[M+CH3COO]- 375.02600 188.4
[M+Na-2H]- 336.98682 169.9
[M]+ 316.01160 168.6
[M]- 316.01270 168.6
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.