CID 20442796

4,5-dihydro-2-methyl-3-thiophenethiol

Structural Information

Molecular Formula

C₅H₈S₂

SMILES

CC1=C(CCS1)S

InChI

InChI=1S/C5H8S2/c1-4-5(6)2-3-7-4/h6H,2-3H2,1H3

InChIKey

SHTOTWJJNXTUDB-UHFFFAOYSA-N

Compound name

5-methyl-2,3-dihydrothiophene-4-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 132.00674 Da
Monoisotopic Mass: 1.6
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]+	133.01402	124.2
[M+Na]+	154.99596	135.0
[M+NH4]+	150.04056	135.1
[M+K]+	170.96990	126.6
[M-H]-	130.99946	127.2
[M+Na-2H]-	152.98141	128.6
[M]+	132.00619	127.6
[M]-	132.00729	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe