CID 54026681

3-(methylthio)azetidine hydrochloride

Structural Information

Molecular Formula

SMILES

CSC1CNC1

InChI

InChI=1S/C4H9NS/c1-6-4-2-5-3-4/h4-5H,2-3H2,1H3

InChIKey

UCCIFFGORAXIFG-UHFFFAOYSA-N

Compound name

3-methylsulfanylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 103.04557 Da
Monoisotopic Mass: 0.3
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]+	104.05285	112.7
[M+Na]+	126.03479	118.8
[M+NH4]+	121.07939	118.2
[M+K]+	142.00873	113.8
[M-H]-	102.03829	111.1
[M+Na-2H]-	124.02024	115.4
[M]+	103.04502	112.3
[M]-	103.04612	112.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe