CID 116673

Einecs 274-741-5

Structural Information

Molecular Formula
C25H48O6Si
SMILES
CCCCC(CC)C(=O)O[Si](C)(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC
InChI
InChI=1S/C25H48O6Si/c1-8-14-17-20(11-4)23(26)29-32(7,30-24(27)21(12-5)18-15-9-2)31-25(28)22(13-6)19-16-10-3/h20-22H,8-19H2,1-7H3
InChIKey
JOPQOJFZJSAFHO-UHFFFAOYSA-N
Compound name
[bis(2-ethylhexanoyloxy)-methylsilyl] 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

22
Patents

472.32202 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.32930 219.7
[M+Na]+ 495.31124 228.5
[M-H]- 471.31474 218.4
[M+NH4]+ 490.35584 231.8
[M+K]+ 511.28518 228.4
[M+H-H2O]+ 455.31928 222.5
[M+HCOO]- 517.32022 222.0
[M+CH3COO]- 531.33587 238.8
[M+Na-2H]- 493.29669 211.0
[M]+ 472.32147 222.7
[M]- 472.32257 222.7
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