CID 58165301

2-ethyl-4-methyl-3-thiazoline

Structural Information

Molecular Formula

SMILES

CCC1N=C(CS1)C

InChI

InChI=1S/C6H11NS/c1-3-6-7-5(2)4-8-6/h6H,3-4H2,1-2H3

InChIKey

GKTIVNKILASSAW-UHFFFAOYSA-N

Compound name

2-ethyl-4-methyl-2,5-dihydro-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 37
Patents: 129.06122 Da
Monoisotopic Mass: 1.4
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]+	130.068496	124.7
[M+Na]+	152.050438	133.9
[M-H]-	128.053944	127.6
[M+NH4]+	147.095043	148.4
[M+K]+	168.024378	132.6
[M+H-H2O]+	112.058480	119.5
[M+HCOO]-	174.059421	143.1
[M+CH3COO]-	188.075071	170.6
[M+Na-2H]-	150.035886	126.8
[M]+	129.06067142	126.1
[M]-	129.06176858	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe