CID 87697

2-(methylthio)ethylamine

Structural Information

Molecular Formula

SMILES

CSCCN

InChI

InChI=1S/C3H9NS/c1-5-3-2-4/h2-4H2,1H3

InChIKey

CYWGSFFHHMQKET-UHFFFAOYSA-N

Compound name

2-methylsulfanylethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2732
Patents: 91.04557 Da
Monoisotopic Mass: -0.1
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]+	92.052846	115.1
[M+Na]+	114.034788	122.8
[M-H]-	90.038294	115.5
[M+NH4]+	109.079393	138.9
[M+K]+	130.008728	121.8
[M+H-H2O]+	74.042830	110.6
[M+HCOO]-	136.043771	134.6
[M+CH3COO]-	150.059421	166.1
[M+Na-2H]-	112.020236	119.3
[M]+	91.04502142	115.4
[M]-	91.04611858	115.4

Literature stripe

literature stripe

Patent stripe

patents stripe