CID 10038373

(3s,4e)-methyl 3-(dimethylphenylsilyl)-4-hexenoate

Structural Information

Molecular Formula
C15H22O2Si
SMILES
C/C=C/[C@H](CC(=O)OC)[Si](C)(C)C1=CC=CC=C1
InChI
InChI=1S/C15H22O2Si/c1-5-9-14(12-15(16)17-2)18(3,4)13-10-7-6-8-11-13/h5-11,14H,12H2,1-4H3/b9-5+/t14-/m1/s1
InChIKey
LCBVSVWXXPCVKB-VZUFXWRPSA-N
Compound name
methyl (E,3S)-3-[dimethyl(phenyl)silyl]hex-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13892 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14620 162.1
[M+Na]+ 285.12814 167.1
[M-H]- 261.13164 164.9
[M+NH4]+ 280.17274 179.4
[M+K]+ 301.10208 164.8
[M+H-H2O]+ 245.13618 155.8
[M+HCOO]- 307.13712 181.6
[M+CH3COO]- 321.15277 195.5
[M+Na-2H]- 283.11359 164.7
[M]+ 262.13837 164.2
[M]- 262.13947 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.