CID 568601

Ethyl 3-(trimethylsilyl)propynoate

Structural Information

Molecular Formula
C8H14O2Si
SMILES
CCOC(=O)C#C[Si](C)(C)C
InChI
InChI=1S/C8H14O2Si/c1-5-10-8(9)6-7-11(2,3)4/h5H2,1-4H3
InChIKey
QRBKPHYAIRLCLK-UHFFFAOYSA-N
Compound name
ethyl 3-trimethylsilylprop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

170.07631 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.08359 136.9
[M+Na]+ 193.06553 146.0
[M-H]- 169.06903 136.8
[M+NH4]+ 188.11013 156.1
[M+K]+ 209.03947 145.1
[M+H-H2O]+ 153.07357 126.8
[M+HCOO]- 215.07451 152.7
[M+CH3COO]- 229.09016 185.5
[M+Na-2H]- 191.05098 141.1
[M]+ 170.07576 134.1
[M]- 170.07686 134.1
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