CID 90684486

67349-10-4

Structural Information

Molecular Formula
C11H24NO3SSi
SMILES
CC[S+](C)C[Si]12OCCN(CCO1)CC(O2)C
InChI
InChI=1S/C11H24NO3SSi/c1-4-16(3)10-17-13-7-5-12(6-8-14-17)9-11(2)15-17/h11H,4-10H2,1-3H3/q+1
InChIKey
WIVONJRMEQYHTC-UHFFFAOYSA-N
Compound name
ethyl-methyl-[(3-methyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)methyl]sulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1246 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13188 114.7
[M+Na]+ 301.11382 114.7
[M-H]- 277.11732 114.7
[M+NH4]+ 296.15842 114.7
[M+K]+ 317.08776 114.8
[M+H-H2O]+ 261.12186 114.6
[M+HCOO]- 323.12280 114.7
[M+CH3COO]- 337.13845 114.6
[M+Na-2H]- 299.09927 114.5
[M]+ 278.12405 114.7
[M]- 278.12515 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.