CID 43436182

2-methyl-4-(thiomorpholin-4-yl)aniline

Structural Information

Molecular Formula

C₁₁H₁₆N₂S

SMILES

CC1=C(C=CC(=C1)N2CCSCC2)N

InChI

InChI=1S/C11H16N2S/c1-9-8-10(2-3-11(9)12)13-4-6-14-7-5-13/h2-3,8H,4-7,12H2,1H3

InChIKey

XEJNWQFAOCDDTQ-UHFFFAOYSA-N

Compound name

2-methyl-4-thiomorpholin-4-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 208.10342 Da
Monoisotopic Mass: 2.2
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]+	209.11070	144.6
[M+Na]+	231.09264	156.8
[M+NH4]+	226.13724	154.4
[M+K]+	247.06658	147.7
[M-H]-	207.09614	149.8
[M+Na-2H]-	229.07809	152.1
[M]+	208.10287	148.2
[M]-	208.10397	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe