CID 20362520

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

Structural Information

Molecular Formula

C₅H₈S₂

SMILES

CC1CC(=CS1)S

InChI

InChI=1S/C5H8S2/c1-4-2-5(6)3-7-4/h3-4,6H,2H2,1H3

InChIKey

JPJBGDKFMKAFRU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
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	122.3
[M+Na]+	154.99596	132.1
[M-H]-	130.99946	126.7
[M+NH4]+	150.04056	147.2
[M+K]+	170.96990	129.7
[M+H-H2O]+	115.00400	118.1
[M+HCOO]-	177.00494	136.3
[M+CH3COO]-	191.02059	170.2
[M+Na-2H]-	152.98141	122.5
[M]+	132.00619	123.8
[M]-	132.00729	123.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe