CID 5469504

Nsc689223

Structural Information

Molecular Formula
C26H38O2Si
SMILES
CCCCCC(/C=C/C1CCC(=O)C1CC#C[Si](C)(C)C)OCC2=CC=CC=C2
InChI
InChI=1S/C26H38O2Si/c1-5-6-8-14-24(28-21-22-12-9-7-10-13-22)18-16-23-17-19-26(27)25(23)15-11-20-29(2,3)4/h7,9-10,12-13,16,18,23-25H,5-6,8,14-15,17,19,21H2,1-4H3/b18-16+
InChIKey
WVUUQBFLECODFZ-FBMGVBCBSA-N
Compound name
3-[(E)-3-phenylmethoxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.2641 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.27138 207.6
[M+Na]+ 433.25332 213.0
[M-H]- 409.25682 210.2
[M+NH4]+ 428.29792 219.1
[M+K]+ 449.22726 204.4
[M+H-H2O]+ 393.26136 193.8
[M+HCOO]- 455.26230 218.6
[M+CH3COO]- 469.27795 227.4
[M+Na-2H]- 431.23877 202.1
[M]+ 410.26355 203.7
[M]- 410.26465 203.7
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.