CID 129841

67349-09-1

Structural Information

Molecular Formula
C10H22NO3SSi
SMILES
CC[S+](C)C[Si]12OCCN(CCO1)CCO2
InChI
InChI=1S/C10H22NO3SSi/c1-3-15(2)10-16-12-7-4-11(5-8-13-16)6-9-14-16/h3-10H2,1-2H3/q+1
InChIKey
MNLAQLDATVZKME-UHFFFAOYSA-N
Compound name
ethyl-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

6
References

198
Patents

264.10898 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11626 114.6
[M+Na]+ 287.09820 114.7
[M-H]- 263.10170 114.6
[M+NH4]+ 282.14280 114.6
[M+K]+ 303.07214 114.7
[M+H-H2O]+ 247.10624 114.5
[M+HCOO]- 309.10718 114.6
[M+CH3COO]- 323.12283 114.6
[M+Na-2H]- 285.08365 114.5
[M]+ 264.10843 114.6
[M]- 264.10953 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.