CID 2785412

92940-24-4

Structural Information

Molecular Formula

C₈H₁₂N₂OS

SMILES

CCN(CC)C1=NC=C(S1)C=O

InChI

InChI=1S/C8H12N2OS/c1-3-10(4-2)8-9-5-7(6-11)12-8/h5-6H,3-4H2,1-2H3

InChIKey

KMNXYBHVYDCCNC-UHFFFAOYSA-N

Compound name

2-(diethylamino)-1,3-thiazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 184.06703 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]+	185.07431	138.8
[M+Na]+	207.05625	147.5
[M-H]-	183.05975	143.1
[M+NH4]+	202.10085	160.4
[M+K]+	223.03019	146.3
[M+H-H2O]+	167.06429	132.3
[M+HCOO]-	229.06523	159.8
[M+CH3COO]-	243.08088	185.4
[M+Na-2H]-	205.04170	140.7
[M]+	184.06648	143.5
[M]-	184.06758	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe