CID 11298382

797038-41-6

Structural Information

Molecular Formula

C₉H₁₄O₂S

SMILES

CC(C)(C)OC(=O)C1=CCSC1

InChI

InChI=1S/C9H14O2S/c1-9(2,3)11-8(10)7-4-5-12-6-7/h4H,5-6H2,1-3H3

InChIKey

OGSZOQAWKFKHIR-UHFFFAOYSA-N

Compound name

tert-butyl 2,5-dihydrothiophene-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.07146 Da
Monoisotopic Mass: 1.7
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]+	187.07874	143.1
[M+Na]+	209.06068	152.0
[M+NH4]+	204.10528	151.5
[M+K]+	225.03462	147.1
[M-H]-	185.06418	143.5
[M+Na-2H]-	207.04613	146.5
[M]+	186.07091	144.8
[M]-	186.07201	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.