CID 138113

Thiophene, 2-(1-methylethyl)-

Structural Information

Molecular Formula

C₇H₁₀S

SMILES

CC(C)C1=CC=CS1

InChI

InChI=1S/C7H10S/c1-6(2)7-4-3-5-8-7/h3-6H,1-2H3

InChIKey

LOXBELRNKUFSRD-UHFFFAOYSA-N

Compound name

2-propan-2-ylthiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3112
Patents: 126.05032 Da
Monoisotopic Mass: 2.8
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]+	127.05760	125.5
[M+Na]+	149.03954	136.9
[M+NH4]+	144.08414	135.9
[M+K]+	165.01348	130.2
[M-H]-	125.04304	128.1
[M+Na-2H]-	147.02499	131.4
[M]+	126.04977	128.3
[M]-	126.05087	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe