CID 173040

Silicon neodecanoate

Structural Information

Molecular Formula
C40H76O8Si
SMILES
CC(C)(C)CCCCCC(=O)O[Si](OC(=O)CCCCCC(C)(C)C)(OC(=O)CCCCCC(C)(C)C)OC(=O)CCCCCC(C)(C)C
InChI
InChI=1S/C40H76O8Si/c1-37(2,3)29-21-13-17-25-33(41)45-49(46-34(42)26-18-14-22-30-38(4,5)6,47-35(43)27-19-15-23-31-39(7,8)9)48-36(44)28-20-16-24-32-40(10,11)12/h13-32H2,1-12H3
InChIKey
SNZUKYAFDNVCKX-UHFFFAOYSA-N
Compound name
tris(7,7-dimethyloctanoyloxy)silyl 7,7-dimethyloctanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

712.53094 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 713.53822 262.0
[M+Na]+ 735.52016 266.0
[M-H]- 711.52366 265.1
[M+NH4]+ 730.56476 278.3
[M+K]+ 751.49410 275.5
[M+H-H2O]+ 695.52820 255.6
[M+HCOO]- 757.52914 267.7
[M+CH3COO]- 771.54479 279.2
[M+Na-2H]- 733.50561 248.0
[M]+ 712.53039 272.2
[M]- 712.53149 272.2
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