CID 45083847

211942-96-0

Structural Information

Molecular Formula

SMILES

CCCC1=CSC(=N1)C=O

InChI

InChI=1S/C7H9NOS/c1-2-3-6-5-10-7(4-9)8-6/h4-5H,2-3H2,1H3

InChIKey

DGKMEYOBTWLPJQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 155.04048 Da
Monoisotopic Mass: 1.9
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]+	156.04776	132.6
[M+Na]+	178.02970	144.0
[M+NH4]+	173.07430	141.4
[M+K]+	194.00364	137.3
[M-H]-	154.03320	133.8
[M+Na-2H]-	176.01515	137.5
[M]+	155.03993	134.9
[M]-	155.04103	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe