CID 138337

3-methylthiolane

Structural Information

Molecular Formula

C₅H₁₀S

SMILES

CC1CCSC1

InChI

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

InChIKey

DLABLFPCTXRQMY-UHFFFAOYSA-N

Compound name

3-methylthiolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4978
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]+	103.057596	119.2
[M+Na]+	125.039538	126.7
[M-H]-	101.043044	123.0
[M+NH4]+	120.084143	144.8
[M+K]+	141.013478	126.0
[M+H-H2O]+	85.047580	114.8
[M+HCOO]-	147.048521	137.6
[M+CH3COO]-	161.064171	164.3
[M+Na-2H]-	123.024986	121.6
[M]+	102.04977142	117.9
[M]-	102.05086858	117.9

Literature stripe

literature stripe

Patent stripe

patents stripe