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 114.8
[M+Na]+ 348.08740 114.8
[M-H]- 324.09090 114.8
[M+NH4]+ 343.13200 114.8
[M+K]+ 364.06134 114.9
[M+H-H2O]+ 308.09544 114.7
[M+HCOO]- 370.09638 114.8
[M+CH3COO]- 384.11203 114.7
[M+Na-2H]- 346.07285 114.6
[M]+ 325.09763 114.8
[M]- 325.09873 114.8
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.