CID 365803

Nsc633878

Structural Information

Molecular Formula
C28H42O4Si
SMILES
CC(C)[Si](C(C)C)(C(C)C)OC12CCC(C(C1C(=O)O)COCC3=CC=CC=C3)C(=C2)C=C
InChI
InChI=1S/C28H42O4Si/c1-8-23-16-28(32-33(19(2)3,20(4)5)21(6)7)15-14-24(23)25(26(28)27(29)30)18-31-17-22-12-10-9-11-13-22/h8-13,16,19-21,24-26H,1,14-15,17-18H2,2-7H3,(H,29,30)
InChIKey
QLGBGXVYIKJATE-UHFFFAOYSA-N
Compound name
5-ethenyl-3-(phenylmethoxymethyl)-1-tri(propan-2-yl)silyloxybicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.28525 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.29253 223.2
[M+Na]+ 493.27447 221.8
[M-H]- 469.27797 219.1
[M+NH4]+ 488.31907 236.8
[M+K]+ 509.24841 218.7
[M+H-H2O]+ 453.28251 216.4
[M+HCOO]- 515.28345 224.2
[M+CH3COO]- 529.29910 241.3
[M+Na-2H]- 491.25992 223.3
[M]+ 470.28470 228.1
[M]- 470.28580 228.1
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.