CID 12638758

Thiomorpholin-4-amine

Structural Information

Molecular Formula

C₄H₁₀N₂S

SMILES

C1CSCCN1N

InChI

InChI=1S/C4H10N2S/c5-6-1-3-7-4-2-6/h1-5H2

InChIKey

IAFSUZIBZMPMPK-UHFFFAOYSA-N

Compound name

thiomorpholin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 251
Patents: 118.05647 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]+	119.06375	121.2
[M+Na]+	141.04569	127.1
[M-H]-	117.04919	122.5
[M+NH4]+	136.09029	142.1
[M+K]+	157.01963	125.6
[M+H-H2O]+	101.05373	115.2
[M+HCOO]-	163.05467	136.8
[M+CH3COO]-	177.07032	167.9
[M+Na-2H]-	139.03114	124.9
[M]+	118.05592	115.9
[M]-	118.05702	115.9

Literature stripe

literature stripe

Patent stripe

patents stripe