CID 390942

Nsc689195

Structural Information

Molecular Formula
C16H30O5S2Si
SMILES
CC1(OC2C(C(OC2O1)CO[Si](C)(C)C(C)(C)C)OC(=S)SC)C
InChI
InChI=1S/C16H30O5S2Si/c1-15(2,3)24(7,8)17-9-10-11(19-14(22)23-6)12-13(18-10)21-16(4,5)20-12/h10-13H,9H2,1-8H3
InChIKey
FPMWPZCUVFMELL-UHFFFAOYSA-N
Compound name
O-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methylsulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1304 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13768 189.1
[M+Na]+ 417.11962 195.3
[M-H]- 393.12312 194.4
[M+NH4]+ 412.16422 205.3
[M+K]+ 433.09356 197.1
[M+H-H2O]+ 377.12766 188.8
[M+HCOO]- 439.12860 193.1
[M+CH3COO]- 453.14425 214.9
[M+Na-2H]- 415.10507 190.3
[M]+ 394.12985 199.2
[M]- 394.13095 199.2
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.