CID 142508

40990-29-2

Structural Information

Molecular Formula

C₆H₈S₂

SMILES

CC1=CC=C(S1)SC

InChI

InChI=1S/C6H8S2/c1-5-3-4-6(7-2)8-5/h3-4H,1-2H3

InChIKey

VSUGUKXAAPOFPQ-UHFFFAOYSA-N

Compound name

2-methyl-5-methylsulfanylthiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 124
Patents: 144.00674 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]+	145.01402	124.8
[M+Na]+	166.99596	135.3
[M-H]-	142.99946	129.4
[M+NH4]+	162.04056	149.4
[M+K]+	182.96990	132.4
[M+H-H2O]+	127.00400	120.5
[M+HCOO]-	189.00494	140.0
[M+CH3COO]-	203.02059	172.8
[M+Na-2H]-	164.98141	125.4
[M]+	144.00619	128.1
[M]-	144.00729	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe