CID 2776978

2-(thiomorpholin-4-yl)acetonitrile

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	127.8
[M+Na]+	165.04569	136.1
[M-H]-	141.04919	129.9
[M+NH4]+	160.09029	146.5
[M+K]+	181.01963	134.2
[M+H-H2O]+	125.05373	115.5
[M+HCOO]-	187.05467	139.7
[M+CH3COO]-	201.07032	184.4
[M+Na-2H]-	163.03114	131.4
[M]+	142.05592	120.6
[M]-	142.05702	120.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe