CID 393379

Nsc695212

Structural Information

Molecular Formula
C22H40O4Si
SMILES
CC(C)[Si](C(C)C)(C(C)C)OC12CCC(CC1C(=O)OC)C(C2O)CC=C
InChI
InChI=1S/C22H40O4Si/c1-9-10-18-17-11-12-22(20(18)23,19(13-17)21(24)25-8)26-27(14(2)3,15(4)5)16(6)7/h9,14-20,23H,1,10-13H2,2-8H3
InChIKey
YIBLHUPWAMRDEZ-UHFFFAOYSA-N
Compound name
methyl 6-hydroxy-5-prop-2-enyl-1-tri(propan-2-yl)silyloxybicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2696 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.27688 205.1
[M+Na]+ 419.25882 204.7
[M-H]- 395.26232 198.1
[M+NH4]+ 414.30342 222.5
[M+K]+ 435.23276 202.9
[M+H-H2O]+ 379.26686 201.4
[M+HCOO]- 441.26780 205.4
[M+CH3COO]- 455.28345 228.1
[M+Na-2H]- 417.24427 205.1
[M]+ 396.26905 209.3
[M]- 396.27015 209.3
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.