CID 120774

712-80-1

Structural Information

Molecular Formula

C₁₁H₁₆N₂S

SMILES

CN(C)C1=CC=C(C=C1)C2NCCS2

InChI

InChI=1S/C11H16N2S/c1-13(2)10-5-3-9(4-6-10)11-12-7-8-14-11/h3-6,11-12H,7-8H2,1-2H3

InChIKey

ISSWNDGJXPGDPC-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-(1,3-thiazolidin-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 6
Patents: 208.10342 Da
Monoisotopic Mass: 1.6
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	145.8
[M+Na]+	231.09264	152.1
[M-H]-	207.09614	151.1
[M+NH4]+	226.13724	165.4
[M+K]+	247.06658	149.1
[M+H-H2O]+	191.10068	138.7
[M+HCOO]-	253.10162	162.8
[M+CH3COO]-	267.11727	158.0
[M+Na-2H]-	229.07809	146.4
[M]+	208.10287	143.8
[M]-	208.10397	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe