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: 59
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]+	133.068156	124.9
[M+Na]+	155.050098	133.8
[M-H]-	131.053604	129.9
[M+NH4]+	150.094703	148.7
[M+K]+	171.024038	134.1
[M+H-H2O]+	115.058140	121.0
[M+HCOO]-	177.059081	142.5
[M+CH3COO]-	191.074731	171.2
[M+Na-2H]-	153.035546	126.7
[M]+	132.06033142	126.7
[M]-	132.06142858	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe