CID 4381659

Tricyclo[7.3.3.15,11]heptasiloxane-3,7,14-triol, 1,3,5,7,9,11,14-heptakis(2-methylpropyl)-

Structural Information

Molecular Formula
C28H66O12Si7
SMILES
CC(C)C[Si]1(O[Si]2(O[Si](O[Si]3(O[Si](O[Si](O1)(O[Si](O2)(O3)CC(C)C)CC(C)C)(CC(C)C)O)CC(C)C)(CC(C)C)O)CC(C)C)O
InChI
InChI=1S/C28H66O12Si7/c1-22(2)15-41(29)32-44(18-25(7)8)34-42(30,16-23(3)4)36-46(20-27(11)12)37-43(31,17-24(5)6)35-45(33-41,19-26(9)10)39-47(38-44,40-46)21-28(13)14/h22-31H,15-21H2,1-14H3
InChIKey
APIBTMSFBUJAAC-UHFFFAOYSA-N
Compound name
3,7,14-trihydroxy-1,3,5,7,9,11,14-heptakis(2-methylpropyl)-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

100
Patents

790.2939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 791.30118 310.7
[M+Na]+ 813.28312 310.7
[M-H]- 789.28662 310.7
[M+NH4]+ 808.32772 310.7
[M+K]+ 829.25706 310.7
[M+H-H2O]+ 773.29116 310.8
[M+HCOO]- 835.29210 310.8
[M+CH3COO]- 849.30775 254.2
[M+Na-2H]- 811.26857 310.8
[M]+ 790.29335 310.8
[M]- 790.29445 310.8
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