CID 18993715

175217-23-9

Structural Information

Molecular Formula
C10H16O2SSi
SMILES
CC1=C(SC(=C1C(=O)O)[Si](C)(C)C)C
InChI
InChI=1S/C10H16O2SSi/c1-6-7(2)13-10(14(3,4)5)8(6)9(11)12/h1-5H3,(H,11,12)
InChIKey
VTNSLLAJPABUFM-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-trimethylsilylthiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

228.06403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07131 148.7
[M+Na]+ 251.05325 157.8
[M-H]- 227.05675 151.9
[M+NH4]+ 246.09785 169.9
[M+K]+ 267.02719 155.2
[M+H-H2O]+ 211.06129 144.5
[M+HCOO]- 273.06223 164.4
[M+CH3COO]- 287.07788 186.6
[M+Na-2H]- 249.03870 147.5
[M]+ 228.06348 152.7
[M]- 228.06458 152.7
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