CID 91666477

Silicic acid (h4sio4), 1,3-dimethyl-1,3-disiloxanediylidene dodecakis(1-methylpropyl) ester

Structural Information

Molecular Formula
C50H114O17Si6
SMILES
CCC(C)O[Si](OC(C)CC)(OC(C)CC)O[Si](C)(O[Si](C)(O[Si](OC(C)CC)(OC(C)CC)OC(C)CC)O[Si](OC(C)CC)(OC(C)CC)OC(C)CC)O[Si](OC(C)CC)(OC(C)CC)OC(C)CC
InChI
InChI=1S/C50H114O17Si6/c1-27-39(13)51-70(52-40(14)28-2,53-41(15)29-3)64-68(25,65-71(54-42(16)30-4,55-43(17)31-5)56-44(18)32-6)63-69(26,66-72(57-45(19)33-7,58-46(20)34-8)59-47(21)35-9)67-73(60-48(22)36-10,61-49(23)37-11)62-50(24)38-12/h39-50H,27-38H2,1-26H3
InChIKey
XKSVHFDHHWOJBT-UHFFFAOYSA-N
Compound name
tributan-2-yl [methyl-[methyl-bis[tri(butan-2-yloxy)silyloxy]silyl]oxy-tri(butan-2-yloxy)silyloxysilyl] silicate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1154.6671 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1155.6744 352.7
[M+Na]+ 1177.6563 350.7
[M-H]- 1153.6598 364.4
[M+NH4]+ 1172.7009 385.9
[M+K]+ 1193.6303 372.2
[M+H-H2O]+ 1137.6644 348.1
[M+HCOO]- 1199.6653 328.8
[M+CH3COO]- 1213.6810 334.3
[M+Na-2H]- 1175.6418 332.7
[M]+ 1154.6666 379.6
[M]- 1154.6676 379.6
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.