CID 2734664

4-(trimethylsilyl)-3-butyn-2-one

Structural Information

Molecular Formula
C7H12OSi
SMILES
CC(=O)C#C[Si](C)(C)C
InChI
InChI=1S/C7H12OSi/c1-7(8)5-6-9(2,3)4/h1-4H3
InChIKey
NQEZDDPEJMKMOS-UHFFFAOYSA-N
Compound name
4-trimethylsilylbut-3-yn-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

873
Patents

140.06573 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.07301 130.0
[M+Na]+ 163.05495 139.5
[M-H]- 139.05845 130.2
[M+NH4]+ 158.09955 150.4
[M+K]+ 179.02889 138.4
[M+H-H2O]+ 123.06299 120.3
[M+HCOO]- 185.06393 145.9
[M+CH3COO]- 199.07958 181.7
[M+Na-2H]- 161.04040 134.8
[M]+ 140.06518 125.7
[M]- 140.06628 125.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe