CID 43654

Brn 2902162

Structural Information

Molecular Formula
C14H19NO6Si
SMILES
COC(=O)C1=CC=C(C=C1)O[Si]23OCCN(CCO2)CCO3
InChI
InChI=1S/C14H19NO6Si/c1-17-14(16)12-2-4-13(5-3-12)21-22-18-9-6-15(7-10-19-22)8-11-20-22/h2-5H,6-11H2,1H3
InChIKey
PZCMIPXUEBAZAS-UHFFFAOYSA-N
Compound name
methyl 4-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yloxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.09818 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10546 169.9
[M+Na]+ 348.08740 169.9
[M+NH4]+ 343.13200 169.9
[M+K]+ 364.06134 169.9
[M-H]- 324.09090 169.9
[M+Na-2H]- 346.07285 169.9
[M]+ 325.09763 169.9
[M]- 325.09873 169.9
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.