CID 23268354

67349-11-5

Structural Information

Molecular Formula
C12H26NO3SSi
SMILES
CC(C)(C)[S+](C)C[Si]12OCCN(CCO1)CCO2
InChI
InChI=1S/C12H26NO3SSi/c1-12(2,3)17(4)11-18-14-8-5-13(6-9-15-18)7-10-16-18/h5-11H2,1-4H3/q+1
InChIKey
MXCSAOXOCIBLJS-UHFFFAOYSA-N
Compound name
tert-butyl-methyl-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-ylmethyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.14026 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14754 114.6
[M+Na]+ 315.12948 114.7
[M-H]- 291.13298 114.7
[M+NH4]+ 310.17408 114.7
[M+K]+ 331.10342 114.7
[M+H-H2O]+ 275.13752 114.6
[M+HCOO]- 337.13846 114.6
[M+CH3COO]- 351.15411 254.2
[M+Na-2H]- 313.11493 114.5
[M]+ 292.13971 114.6
[M]- 292.14081 114.6
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.