CID 5702560

Trimethylsilyl crotonate

Structural Information

Molecular Formula
C7H14O2Si
SMILES
C/C=C/C(=O)O[Si](C)(C)C
InChI
InChI=1S/C7H14O2Si/c1-5-6-7(8)9-10(2,3)4/h5-6H,1-4H3/b6-5+
InChIKey
VZRSIPIZCRNSAV-AATRIKPKSA-N
Compound name
trimethylsilyl (E)-but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

158.07631 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.083586 132.6
[M+Na]+ 181.065528 140.1
[M-H]- 157.069034 133.1
[M+NH4]+ 176.110133 154.6
[M+K]+ 197.039468 140.0
[M+H-H2O]+ 141.073570 128.7
[M+HCOO]- 203.074511 154.2
[M+CH3COO]- 217.090161 175.3
[M+Na-2H]- 179.050976 138.2
[M]+ 158.07576142 135.0
[M]- 158.07685858 135.0
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

patents stripe