CID 86802

Menthol silicon

Structural Information

Molecular Formula
C40H76O4Si
SMILES
CC1CCC(C(C1)O[Si](OC2CC(CCC2C(C)C)C)(OC3CC(CCC3C(C)C)C)OC4CC(CCC4C(C)C)C)C(C)C
InChI
InChI=1S/C40H76O4Si/c1-25(2)33-17-13-29(9)21-37(33)41-45(42-38-22-30(10)14-18-34(38)26(3)4,43-39-23-31(11)15-19-35(39)27(5)6)44-40-24-32(12)16-20-36(40)28(7)8/h25-40H,13-24H2,1-12H3
InChIKey
FFGFCZRBQGSAJV-UHFFFAOYSA-N
Compound name
tetrakis(5-methyl-2-propan-2-ylcyclohexyl) silicate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

648.5513 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.55858 263.2
[M+Na]+ 671.54052 267.1
[M+NH4]+ 666.58512 267.7
[M+K]+ 687.51446 261.7
[M-H]- 647.54402 268.3
[M+Na-2H]- 669.52597 261.4
[M]+ 648.55075 264.9
[M]- 648.55185 264.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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