CID 365024

Nsc631959

Structural Information

Molecular Formula
C14H18O2Si
SMILES
C[Si](C)(C1CC(=O)CC(=O)C1)C2=CC=CC=C2
InChI
InChI=1S/C14H18O2Si/c1-17(2,13-6-4-3-5-7-13)14-9-11(15)8-12(16)10-14/h3-7,14H,8-10H2,1-2H3
InChIKey
AMACUKQNHLZFPY-UHFFFAOYSA-N
Compound name
5-[dimethyl(phenyl)silyl]cyclohexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

246.1076 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11488 153.5
[M+Na]+ 269.09682 159.4
[M-H]- 245.10032 159.6
[M+NH4]+ 264.14142 171.3
[M+K]+ 285.07076 156.3
[M+H-H2O]+ 229.10486 146.9
[M+HCOO]- 291.10580 172.4
[M+CH3COO]- 305.12145 191.2
[M+Na-2H]- 267.08227 157.4
[M]+ 246.10705 150.5
[M]- 246.10815 150.5
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

patents stripe