CID 154143085

29926-40-7

Structural Information

Molecular Formula

C₉H₁₇NO₂S

SMILES

CCOC(C)(C1=NCCS1)OCC

InChI

InChI=1S/C9H17NO2S/c1-4-11-9(3,12-5-2)8-10-6-7-13-8/h4-7H2,1-3H3

InChIKey

PRFSNOJQABDUNF-UHFFFAOYSA-N

Compound name

2-(1,1-diethoxyethyl)-4,5-dihydro-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.098 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]+	204.105276	147.0
[M+Na]+	226.087218	154.0
[M-H]-	202.090724	149.1
[M+NH4]+	221.131823	167.3
[M+K]+	242.061158	153.1
[M+H-H2O]+	186.095260	141.1
[M+HCOO]-	248.096201	163.3
[M+CH3COO]-	262.111851	182.6
[M+Na-2H]-	224.072666	149.1
[M]+	203.09745142	151.4
[M]-	203.09854858	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe