CID 3055293

2-((o-methylbenzyl)amino)-2-thiazoline

Structural Information

Molecular Formula

C₁₁H₁₄N₂S

SMILES

CC1=CC=CC=C1CNC2=NCCS2

InChI

InChI=1S/C11H14N2S/c1-9-4-2-3-5-10(9)8-13-11-12-6-7-14-11/h2-5H,6-8H2,1H3,(H,12,13)

InChIKey

XKHYNSGLWAWLMO-UHFFFAOYSA-N

Compound name

N-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 206.08777 Da
Monoisotopic Mass: 2.0
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]+	207.09505	143.8
[M+Na]+	229.07699	151.7
[M-H]-	205.08049	149.5
[M+NH4]+	224.12159	163.8
[M+K]+	245.05093	147.9
[M+H-H2O]+	189.08503	136.8
[M+HCOO]-	251.08597	163.4
[M+CH3COO]-	265.10162	156.8
[M+Na-2H]-	227.06244	146.5
[M]+	206.08722	143.8
[M]-	206.08832	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe