CID 3065521

2-ethyl-3-thiazoline

Structural Information

Molecular Formula

SMILES

CCC1N=CCS1

InChI

InChI=1S/C5H9NS/c1-2-5-6-3-4-7-5/h3,5H,2,4H2,1H3

InChIKey

RETWPUNUUVAWIM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 115.04557 Da
Monoisotopic Mass: 1.1
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]+	116.05285	120.8
[M+Na]+	138.03479	129.5
[M-H]-	114.03829	123.5
[M+NH4]+	133.07939	144.7
[M+K]+	154.00873	128.5
[M+H-H2O]+	98.042830	115.4
[M+HCOO]-	160.04377	139.5
[M+CH3COO]-	174.05942	166.5
[M+Na-2H]-	136.02024	124.0
[M]+	115.04502	121.5
[M]-	115.04612	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe