CID 75480491

4-bromo-5-methyl-1-(trimethylsilyl)hex-1-yn-3-one

Structural Information

Molecular Formula
C10H17BrOSi
SMILES
CC(C)C(C(=O)C#C[Si](C)(C)C)Br
InChI
InChI=1S/C10H17BrOSi/c1-8(2)10(11)9(12)6-7-13(3,4)5/h8,10H,1-5H3
InChIKey
IHDMQOXPNXBFST-UHFFFAOYSA-N
Compound name
4-bromo-5-methyl-1-trimethylsilylhex-1-yn-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0232 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.030476 151.7
[M+Na]+ 283.012418 163.1
[M-H]- 259.015924 152.8
[M+NH4]+ 278.057023 170.7
[M+K]+ 298.986358 152.5
[M+H-H2O]+ 243.020460 146.4
[M+HCOO]- 305.021401 165.1
[M+CH3COO]- 319.037051 200.0
[M+Na-2H]- 280.997866 153.8
[M]+ 260.02265142 163.8
[M]- 260.02374858 163.8
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.