CID 4643315

Ethyl (s)-3-(tert-butyldimethylsiloxy)glutarate

Structural Information

Molecular Formula
C13H26O5Si
SMILES
CCOC(=O)CC(CC(=O)O)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C13H26O5Si/c1-7-17-12(16)9-10(8-11(14)15)18-19(5,6)13(2,3)4/h10H,7-9H2,1-6H3,(H,14,15)
InChIKey
DUMCZOGDSYDSBG-UHFFFAOYSA-N
Compound name
3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

290.15494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.162216 167.0
[M+Na]+ 313.144158 171.2
[M-H]- 289.147664 165.2
[M+NH4]+ 308.188763 182.6
[M+K]+ 329.118098 171.8
[M+H-H2O]+ 273.152200 162.5
[M+HCOO]- 335.153141 182.2
[M+CH3COO]- 349.168791 198.9
[M+Na-2H]- 311.129606 167.9
[M]+ 290.15439142 172.3
[M]- 290.15548858 172.3
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