CID 84557985

Silthiofam-des(trimethylsilyl)

Structural Information

Molecular Formula

C₁₀H₁₃NOS

SMILES

CC1=C(SC=C1C(=O)NCC=C)C

InChI

InChI=1S/C10H13NOS/c1-4-5-11-10(12)9-6-13-8(3)7(9)2/h4,6H,1,5H2,2-3H3,(H,11,12)

InChIKey

DGCYKBAFUIYUEX-UHFFFAOYSA-N

Compound name

4,5-dimethyl-N-prop-2-enylthiophene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 195.0718 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	196.079076	143.2
[M+Na]+	218.061018	151.7
[M-H]-	194.064524	147.5
[M+NH4]+	213.105623	165.2
[M+K]+	234.034958	148.4
[M+H-H2O]+	178.069060	137.8
[M+HCOO]-	240.070001	163.3
[M+CH3COO]-	254.085651	185.7
[M+Na-2H]-	216.046466	143.0
[M]+	195.07125142	145.7
[M]-	195.07234858	145.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.