CID 116719

Methylheptakis(1-methylpropoxy)cyclotetrasiloxane

Structural Information

Molecular Formula
C29H66O11Si4
SMILES
CCC(C)O[Si]1(O[Si](O[Si](O[Si](O1)(OC(C)CC)OC(C)CC)(OC(C)CC)OC(C)CC)(OC(C)CC)OC(C)CC)C
InChI
InChI=1S/C29H66O11Si4/c1-16-23(8)30-41(15)37-42(31-24(9)17-2,32-25(10)18-3)39-44(35-28(13)21-6,36-29(14)22-7)40-43(38-41,33-26(11)19-4)34-27(12)20-5/h23-29H,16-22H2,1-15H3
InChIKey
LQZLIWBRZMPTTA-UHFFFAOYSA-N
Compound name
2,2,4,4,6,6,8-hepta(butan-2-yloxy)-8-methyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

702.3682 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 703.37548 319.7
[M+Na]+ 725.35742 325.4
[M-H]- 701.36092 322.9
[M+NH4]+ 720.40202 329.0
[M+K]+ 741.33136 325.8
[M+H-H2O]+ 685.36546 230.5
[M+HCOO]- 747.36640 325.1
[M+CH3COO]- 761.38205 260.7
[M+Na-2H]- 723.34287 226.4
[M]+ 702.36765 322.6
[M]- 702.36875 322.6
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

No patent data available for this compound.