CID 3080373

2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(4-(1-propynyl)phenyl)-

Structural Information

Molecular Formula
C15H19NO3Si
SMILES
CC#CC1=CC=C(C=C1)[Si]23OCCN(CCO2)CCO3
InChI
InChI=1S/C15H19NO3Si/c1-2-3-14-4-6-15(7-5-14)20-17-11-8-16(9-12-18-20)10-13-19-20/h4-7H,8-13H2,1H3
InChIKey
DNMBQVICMRWJHI-UHFFFAOYSA-N
Compound name
1-(4-prop-1-ynylphenyl)-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

289.11343 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12071 114.5
[M+Na]+ 312.10265 114.6
[M-H]- 288.10615 114.5
[M+NH4]+ 307.14725 114.5
[M+K]+ 328.07659 114.6
[M+H-H2O]+ 272.11069 114.4
[M+HCOO]- 334.11163 114.5
[M+CH3COO]- 348.12728 114.5
[M+Na-2H]- 310.08810 114.4
[M]+ 289.11288 114.5
[M]- 289.11398 114.5
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.