CID 13487765

103742-33-2

Structural Information

Molecular Formula

C₅H₁₂N₂S

SMILES

C1CSCC(N1)CN

InChI

InChI=1S/C5H12N2S/c6-3-5-4-8-2-1-7-5/h5,7H,1-4,6H2

InChIKey

XQQOTDHTMBHKRA-UHFFFAOYSA-N

Compound name

thiomorpholin-3-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 132.07211 Da
Monoisotopic Mass: -0.7
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]+	133.07939	125.8
[M+Na]+	155.06133	130.8
[M-H]-	131.06483	125.5
[M+NH4]+	150.10593	145.5
[M+K]+	171.03527	128.1
[M+H-H2O]+	115.06937	119.9
[M+HCOO]-	177.07031	139.6
[M+CH3COO]-	191.08596	168.3
[M+Na-2H]-	153.04678	128.6
[M]+	132.07156	119.1
[M]-	132.07266	119.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe