CID 16494966

433214-90-5

Structural Information

Molecular Formula

SMILES

CCC1=NC(=CS1)C=O

InChI

InChI=1S/C6H7NOS/c1-2-6-7-5(3-8)4-9-6/h3-4H,2H2,1H3

InChIKey

SQSRIAZDTHFIKL-UHFFFAOYSA-N

Compound name

2-ethyl-1,3-thiazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 141.02484 Da
Monoisotopic Mass: 1.6
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]+	142.03212	128.2
[M+Na]+	164.01406	139.9
[M+NH4]+	159.05866	137.2
[M+K]+	179.98800	133.4
[M-H]-	140.01756	129.5
[M+Na-2H]-	161.99951	133.4
[M]+	141.02429	130.6
[M]-	141.02539	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe