CID 146677202

Silthiofam tp3

Structural Information

Molecular Formula
C13H19NO3SSi
SMILES
CC1=C(SC(=C1C(=O)NCC=C)[Si](C)(C)C)C(=O)O
InChI
InChI=1S/C13H19NO3SSi/c1-6-7-14-11(15)9-8(2)10(12(16)17)18-13(9)19(3,4)5/h6H,1,7H2,2-5H3,(H,14,15)(H,16,17)
InChIKey
BXRKSNZZXHWBTM-UHFFFAOYSA-N
Compound name
3-methyl-4-(prop-2-enylcarbamoyl)-5-trimethylsilylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

297.08548 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.09276 168.2
[M+Na]+ 320.07470 175.0
[M-H]- 296.07820 170.7
[M+NH4]+ 315.11930 185.8
[M+K]+ 336.04864 171.4
[M+H-H2O]+ 280.08274 162.9
[M+HCOO]- 342.08368 183.3
[M+CH3COO]- 356.09933 201.1
[M+Na-2H]- 318.06015 165.2
[M]+ 297.08493 171.6
[M]- 297.08603 171.6
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

No patent data available for this compound.