CID 2776978

53515-34-7

Structural Information

Molecular Formula

C₆H₁₀N₂S

SMILES

C1CSCCN1CC#N

InChI

InChI=1S/C6H10N2S/c7-1-2-8-3-5-9-6-4-8/h2-6H2

InChIKey

GRFZMNDHVADAFL-UHFFFAOYSA-N

Compound name

2-thiomorpholin-4-ylacetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 142.05647 Da
Monoisotopic Mass: 0.5
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]+	143.06375	127.3
[M+Na]+	165.04569	137.6
[M+NH4]+	160.09029	133.3
[M+K]+	181.01963	126.9
[M-H]-	141.04919	122.1
[M+Na-2H]-	163.03114	130.3
[M]+	142.05592	126.8
[M]-	142.05702	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe