CID 3051863

1-(3-thienyl)silatrane

Structural Information

Molecular Formula
C10H15NO3SSi
SMILES
C1CO[Si]2(OCCN1CCO2)C3=CSC=C3
InChI
InChI=1S/C10H15NO3SSi/c1-8-15-9-10(1)16-12-5-2-11(3-6-13-16)4-7-14-16/h1,8-9H,2-7H2
InChIKey
OIFBXZNEUXBIRP-UHFFFAOYSA-N
Compound name
1-thiophen-3-yl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0542 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.06148 114.7
[M+Na]+ 280.04342 114.8
[M-H]- 256.04692 114.7
[M+NH4]+ 275.08802 114.7
[M+K]+ 296.01736 114.8
[M+H-H2O]+ 240.05146 114.6
[M+HCOO]- 302.05240 114.7
[M+CH3COO]- 316.06805 114.7
[M+Na-2H]- 278.02887 114.6
[M]+ 257.05365 114.7
[M]- 257.05475 114.7
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.