CID 521504

2-butyl-5-ethylthiophene

Structural Information

Molecular Formula

C₁₀H₁₆S

SMILES

CCCCC1=CC=C(S1)CC

InChI

InChI=1S/C10H16S/c1-3-5-6-10-8-7-9(4-2)11-10/h7-8H,3-6H2,1-2H3

InChIKey

ORAPMLHUSQJCQH-UHFFFAOYSA-N

Compound name

2-butyl-5-ethylthiophene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 43
Patents: 168.09727 Da
Monoisotopic Mass: 4.2
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]+	169.10455	138.2
[M+Na]+	191.08649	149.7
[M+NH4]+	186.13109	148.3
[M+K]+	207.06043	141.7
[M-H]-	167.08999	140.9
[M+Na-2H]-	189.07194	143.5
[M]+	168.09672	141.1
[M]-	168.09782	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe