CID 546189

2-(2,2-dimethylpropyl)thiophene

Structural Information

Molecular Formula

C₉H₁₄S

SMILES

CC(C)(C)CC1=CC=CS1

InChI

InChI=1S/C9H14S/c1-9(2,3)7-8-5-4-6-10-8/h4-6H,7H2,1-3H3

InChIKey

CKEFAAZAPOLRPW-UHFFFAOYSA-N

Compound name

2-(2,2-dimethylpropyl)thiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 428
Patents: 154.08162 Da
Monoisotopic Mass: 4.1
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]+	155.08890	135.6
[M+Na]+	177.07084	146.7
[M+NH4]+	172.11544	145.7
[M+K]+	193.04478	139.9
[M-H]-	153.07434	137.7
[M+Na-2H]-	175.05629	141.2
[M]+	154.08107	138.4
[M]-	154.08217	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe