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]+ 261.03048 151.7
[M+Na]+ 283.01242 163.1
[M-H]- 259.01592 152.8
[M+NH4]+ 278.05702 170.7
[M+K]+ 298.98636 152.5
[M+H-H2O]+ 243.02046 146.4
[M+HCOO]- 305.02140 165.1
[M+CH3COO]- 319.03705 200.0
[M+Na-2H]- 280.99787 153.8
[M]+ 260.02265 163.8
[M]- 260.02375 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.