CID 87457

Bis(trimethylsilyl) adipate

Structural Information

Molecular Formula
C12H26O4Si2
SMILES
C[Si](C)(C)OC(=O)CCCCC(=O)O[Si](C)(C)C
InChI
InChI=1S/C12H26O4Si2/c1-17(2,3)15-11(13)9-7-8-10-12(14)16-18(4,5)6/h7-10H2,1-6H3
InChIKey
DVGSOFSBBKDKRU-UHFFFAOYSA-N
Compound name
bis(trimethylsilyl) hexanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

105
Patents

290.13696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.144236 166.5
[M+Na]+ 313.126178 171.5
[M-H]- 289.129684 166.1
[M+NH4]+ 308.170783 183.6
[M+K]+ 329.100118 171.8
[M+H-H2O]+ 273.134220 161.7
[M+HCOO]- 335.135161 183.9
[M+CH3COO]- 349.150811 198.7
[M+Na-2H]- 311.111626 168.8
[M]+ 290.13641142 173.0
[M]- 290.13750858 173.0
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