CID 28786619

2-(thiomorpholin-4-ylmethyl)aniline

Structural Information

Molecular Formula

C₁₁H₁₆N₂S

SMILES

C1CSCCN1CC2=CC=CC=C2N

InChI

InChI=1S/C11H16N2S/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9,12H2

InChIKey

ZAEZFXZNLSFHHF-UHFFFAOYSA-N

Compound name

2-(thiomorpholin-4-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 208.10342 Da
Monoisotopic Mass: 1.5
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]+	209.110696	144.4
[M+Na]+	231.092638	149.8
[M-H]-	207.096144	148.5
[M+NH4]+	226.137243	161.7
[M+K]+	247.066578	145.6
[M+H-H2O]+	191.100680	136.8
[M+HCOO]-	253.101621	159.5
[M+CH3COO]-	267.117271	155.6
[M+Na-2H]-	229.078086	146.8
[M]+	208.10287142	139.6
[M]-	208.10396858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe