CID 638116

1-(trimethylsilyl)ethan-1-one

Structural Information

Molecular Formula
C5H12OSi
SMILES
CC(=O)[Si](C)(C)C
InChI
InChI=1S/C5H12OSi/c1-5(6)7(2,3)4/h1-4H3
InChIKey
REDWSDBFBCDPNI-UHFFFAOYSA-N
Compound name
1-trimethylsilylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

329
Patents

116.06574 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.07302 121.2
[M+Na]+ 139.05496 129.0
[M-H]- 115.05846 122.0
[M+NH4]+ 134.09956 144.8
[M+K]+ 155.02890 129.6
[M+H-H2O]+ 99.063000 117.7
[M+HCOO]- 161.06394 142.9
[M+CH3COO]- 175.07959 169.6
[M+Na-2H]- 137.04041 127.8
[M]+ 116.06519 122.2
[M]- 116.06629 122.2
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