CID 25799

Captamine

Structural Information

Molecular Formula

SMILES

CN(C)CCS

InChI

InChI=1S/C4H11NS/c1-5(2)3-4-6/h6H,3-4H2,1-2H3

InChIKey

DENMGZODXQRYAR-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethanethiol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 21
References: 3534
Patents: 105.06122 Da
Monoisotopic Mass: 0.6
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]+	106.06850	120.6
[M+Na]+	128.05044	130.8
[M+NH4]+	123.09504	130.4
[M+K]+	144.02438	123.3
[M-H]-	104.05394	122.2
[M+Na-2H]-	126.03589	125.2
[M]+	105.06067	122.9
[M]-	105.06177	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe