CID 3050621

2-methyl-3-thiazoline

Structural Information

Molecular Formula

SMILES

CC1N=CCS1

InChI

InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2,4H,3H2,1H3

InChIKey

GKNTUAWLGAGFEL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 62
Patents: 101.02992 Da
Monoisotopic Mass: 0.6
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]+	102.03720	116.3
[M+Na]+	124.01914	125.4
[M-H]-	100.02264	119.2
[M+NH4]+	119.06374	140.8
[M+K]+	139.99308	124.7
[M+H-H2O]+	84.027180	111.1
[M+HCOO]-	146.02812	135.3
[M+CH3COO]-	160.04377	163.5
[M+Na-2H]-	122.00459	120.0
[M]+	101.02937	116.6
[M]-	101.03047	116.6

Literature stripe

literature stripe

Patent stripe

patents stripe