CID 67509

Dtxsid0058352

Structural Information

Molecular Formula
C6H13NO3Si
SMILES
C1CO[SiH]2OCCN1CCO2
InChI
InChI=1S/C6H13NO3Si/c1-4-8-11-9-5-2-7(1)3-6-10-11/h11H,1-6H2
InChIKey
PZRZYNDNPQRQRN-UHFFFAOYSA-N
Compound name
2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

45
References

1346
Patents

175.06647 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07375 114.4
[M+Na]+ 198.05569 114.4
[M-H]- 174.05919 114.4
[M+NH4]+ 193.10029 114.4
[M+K]+ 214.02963 114.5
[M+H-H2O]+ 158.06373 114.3
[M+HCOO]- 220.06467 114.4
[M+CH3COO]- 234.08032 114.3
[M+Na-2H]- 196.04114 114.2
[M]+ 175.06592 114.4
[M]- 175.06702 114.4
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