CID 10774206

4-thiomorpholinoaniline

Structural Information

Molecular Formula

C₁₀H₁₄N₂S

SMILES

C1CSCCN1C2=CC=C(C=C2)N

InChI

InChI=1S/C10H14N2S/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8,11H2

InChIKey

RQXQMUUSQGCLPL-UHFFFAOYSA-N

Compound name

4-thiomorpholin-4-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 227
Patents: 194.08777 Da
Monoisotopic Mass: 1.8
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]+	195.095046	140.1
[M+Na]+	217.076988	145.9
[M-H]-	193.080494	144.4
[M+NH4]+	212.121593	158.0
[M+K]+	233.050928	142.0
[M+H-H2O]+	177.085030	132.7
[M+HCOO]-	239.085971	155.5
[M+CH3COO]-	253.101621	151.7
[M+Na-2H]-	215.062436	143.0
[M]+	194.08722142	135.0
[M]-	194.08831858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe