CID 2733746

3-(trimethylsilyloxy)-2-butenoic acid methyl ester

Structural Information

Molecular Formula
C8H16O3Si
SMILES
CC(=CC(=O)OC)O[Si](C)(C)C
InChI
InChI=1S/C8H16O3Si/c1-7(6-8(9)10-2)11-12(3,4)5/h6H,1-5H3
InChIKey
OQNKCUVOGBTGDJ-UHFFFAOYSA-N
Compound name
methyl 3-trimethylsilyloxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

188.08687 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09415 140.0
[M+Na]+ 211.07609 146.7
[M-H]- 187.07959 140.3
[M+NH4]+ 206.12069 160.6
[M+K]+ 227.05003 147.3
[M+H-H2O]+ 171.08413 135.7
[M+HCOO]- 233.08507 160.5
[M+CH3COO]- 247.10072 181.1
[M+Na-2H]- 209.06154 143.8
[M]+ 188.08632 143.6
[M]- 188.08742 143.6
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

patents stripe