CID 3063607

2-(morpholinoamino)ethanethiol

Structural Information

Molecular Formula

C₆H₁₄N₂OS

SMILES

C1COCCN1NCCS

InChI

InChI=1S/C6H14N2OS/c10-6-1-7-8-2-4-9-5-3-8/h7,10H,1-6H2

InChIKey

NUCCXOFTUGVRMW-UHFFFAOYSA-N

Compound name

2-(morpholin-4-ylamino)ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.08269 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]+	163.089966	133.0
[M+Na]+	185.071908	138.0
[M-H]-	161.075414	135.1
[M+NH4]+	180.116513	151.2
[M+K]+	201.045848	137.8
[M+H-H2O]+	145.079950	126.3
[M+HCOO]-	207.080891	148.1
[M+CH3COO]-	221.096541	176.6
[M+Na-2H]-	183.057356	137.7
[M]+	162.08214142	131.4
[M]-	162.08323858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.