CID 496447

Nsc689227

Structural Information

Molecular Formula
C24H44O3Si
SMILES
CC(C)C1CCC(=O)CC1CCCCC2CC(=O)CC2O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H44O3Si/c1-17(2)22-13-12-20(25)14-18(22)10-8-9-11-19-15-21(26)16-23(19)27-28(6,7)24(3,4)5/h17-19,22-23H,8-16H2,1-7H3
InChIKey
YFMIIKKOFCPZSV-UHFFFAOYSA-N
Compound name
3-[4-[2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]butyl]-4-propan-2-ylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.30597 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.31325 203.2
[M+Na]+ 431.29519 204.5
[M-H]- 407.29869 207.7
[M+NH4]+ 426.33979 216.7
[M+K]+ 447.26913 201.4
[M+H-H2O]+ 391.30323 197.4
[M+HCOO]- 453.30417 214.1
[M+CH3COO]- 467.31982 227.0
[M+Na-2H]- 429.28064 197.1
[M]+ 408.30542 202.8
[M]- 408.30652 202.8
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.