CID 74983

1-ethylsilatrane

Structural Information

Molecular Formula
C8H17NO3Si
SMILES
CC[Si]12OCCN(CCO1)CCO2
InChI
InChI=1S/C8H17NO3Si/c1-2-13-10-6-3-9(4-7-11-13)5-8-12-13/h2-8H2,1H3
InChIKey
BJMVMCLSNWRFSD-UHFFFAOYSA-N
Compound name
1-ethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

203.09776 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.105036 114.6
[M+Na]+ 226.086978 114.7
[M-H]- 202.090484 114.6
[M+NH4]+ 221.131583 114.6
[M+K]+ 242.060918 114.7
[M+H-H2O]+ 186.095020 114.5
[M+HCOO]- 248.095961 114.6
[M+CH3COO]- 262.111611 114.6
[M+Na-2H]- 224.072426 114.5
[M]+ 203.09721142 114.6
[M]- 203.09830858 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

literature stripe

Patent stripe

patents stripe