CID 138395831

Silicic acid, (2e)-3,7-dimethyl-2,6-octadien-1-yl ethyl ester

Structural Information

Molecular Formula
C12H22O3Si
SMILES
CCO[Si](=O)OC/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C12H22O3Si/c1-5-14-16(13)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+
InChIKey
DSCOOPGRYUTMNT-FMIVXFBMSA-N
Compound name
[(2E)-3,7-dimethylocta-2,6-dienoxy]-ethoxy-oxosilane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

242.13382 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14110 158.4
[M+Na]+ 265.12304 163.0
[M-H]- 241.12654 157.7
[M+NH4]+ 260.16764 176.5
[M+K]+ 281.09698 162.0
[M+H-H2O]+ 225.13108 152.7
[M+HCOO]- 287.13202 178.2
[M+CH3COO]- 301.14767 192.8
[M+Na-2H]- 263.10849 157.9
[M]+ 242.13327 162.5
[M]- 242.13437 162.5
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.