CID 3057117

1-(3,5-xylyl)silatrane

Structural Information

Molecular Formula
C14H21NO3Si
SMILES
CC1=CC(=CC(=C1)[Si]23OCCN(CCO2)CCO3)C
InChI
InChI=1S/C14H21NO3Si/c1-12-9-13(2)11-14(10-12)19-16-6-3-15(4-7-17-19)5-8-18-19/h9-11H,3-8H2,1-2H3
InChIKey
USPGRVVIKQEGQH-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylphenyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12906 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13634 114.8
[M+Na]+ 302.11828 114.8
[M-H]- 278.12178 114.8
[M+NH4]+ 297.16288 114.8
[M+K]+ 318.09222 114.8
[M+H-H2O]+ 262.12632 114.7
[M+HCOO]- 324.12726 114.7
[M+CH3COO]- 338.14291 114.7
[M+Na-2H]- 300.10373 114.6
[M]+ 279.12851 114.7
[M]- 279.12961 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.