CID 203009

Brn 3000983

Structural Information

Molecular Formula
C16H25NO4Si
SMILES
CC1=CC(=C(C=C1)C(C)C)O[Si]23OCCN(CCO2)CCO3
InChI
InChI=1S/C16H25NO4Si/c1-13(2)15-5-4-14(3)12-16(15)21-22-18-9-6-17(7-10-19-22)8-11-20-22/h4-5,12-13H,6-11H2,1-3H3
InChIKey
PMVQSGAQEXDYGW-UHFFFAOYSA-N
Compound name
1-(5-methyl-2-propan-2-ylphenoxy)-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

323.15527 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.16255 114.9
[M+Na]+ 346.14449 114.9
[M-H]- 322.14799 114.9
[M+NH4]+ 341.18909 114.9
[M+K]+ 362.11843 114.9
[M+H-H2O]+ 306.15253 114.8
[M+HCOO]- 368.15347 114.8
[M+CH3COO]- 382.16912 114.8
[M+Na-2H]- 344.12994 114.7
[M]+ 323.15472 114.8
[M]- 323.15582 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.