CID 20442793

2,5-dimethyltetrahydrofuran-3-thiol

Structural Information

Molecular Formula

SMILES

CC1CC(C(O1)C)S

InChI

InChI=1S/C6H12OS/c1-4-3-6(8)5(2)7-4/h4-6,8H,3H2,1-2H3

InChIKey

WBELUTNLJPCIHS-UHFFFAOYSA-N

Compound name

2,5-dimethyloxolane-3-thiol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 68
Patents: 132.06088 Da
Monoisotopic Mass: 1.4
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]+	133.06816	124.9
[M+Na]+	155.05010	133.8
[M-H]-	131.05360	129.9
[M+NH4]+	150.09470	148.7
[M+K]+	171.02404	134.1
[M+H-H2O]+	115.05814	121.0
[M+HCOO]-	177.05908	142.5
[M+CH3COO]-	191.07473	171.2
[M+Na-2H]-	153.03555	126.7
[M]+	132.06033	126.7
[M]-	132.06143	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe