CID 15711

2-methyltetrahydrothiophene

Structural Information

Molecular Formula

C₅H₁₀S

SMILES

CC1CCCS1

InChI

InChI=1S/C5H10S/c1-5-3-2-4-6-5/h5H,2-4H2,1H3

InChIKey

AJPGNQYBSTXCJE-UHFFFAOYSA-N

Compound name

2-methylthiolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6511
Patents: 102.05032 Da
Monoisotopic Mass: 1.8
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]+	103.05760	119.2
[M+Na]+	125.03954	126.7
[M-H]-	101.04304	123.0
[M+NH4]+	120.08414	144.8
[M+K]+	141.01348	126.0
[M+H-H2O]+	85.047580	114.8
[M+HCOO]-	147.04852	137.6
[M+CH3COO]-	161.06417	164.3
[M+Na-2H]-	123.02499	121.6
[M]+	102.04977	117.9
[M]-	102.05087	117.9

Literature stripe

literature stripe

Patent stripe

patents stripe