CID 496610

Nsc695207

Structural Information

Molecular Formula
C27H46O4Si
SMILES
CC1=CCC(C(=O)CC1)CC(C#CCCCC2OCCO2)O[Si](C(C)C)(C(C)C)C(C)C
InChI
InChI=1S/C27H46O4Si/c1-20(2)32(21(3)4,22(5)6)31-25(11-9-8-10-12-27-29-17-18-30-27)19-24-15-13-23(7)14-16-26(24)28/h13,20-22,24-25,27H,8,10,12,14-19H2,1-7H3
InChIKey
RYYKMHUDIBFBDK-UHFFFAOYSA-N
Compound name
2-[7-(1,3-dioxolan-2-yl)-2-tri(propan-2-yl)silyloxyhept-3-ynyl]-5-methylcyclohept-4-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.31653 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.32381 205.4
[M+Na]+ 485.30575 206.1
[M-H]- 461.30925 209.4
[M+NH4]+ 480.35035 211.7
[M+K]+ 501.27969 206.8
[M+H-H2O]+ 445.31379 193.3
[M+HCOO]- 507.31473 209.8
[M+CH3COO]- 521.33038 236.8
[M+Na-2H]- 483.29120 197.9
[M]+ 462.31598 199.5
[M]- 462.31708 199.5
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.