CID 15620640

1803584-70-4

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

CCOC(=O)C1=CSC(=N1)CCN

InChI

InChI=1S/C8H12N2O2S/c1-2-12-8(11)6-5-13-7(10-6)3-4-9/h5H,2-4,9H2,1H3

InChIKey

HGPIXDICNGNWDX-UHFFFAOYSA-N

Compound name

ethyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 200.06195 Da
Monoisotopic Mass: 0.9
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]+	201.06923	143.9
[M+Na]+	223.05117	152.7
[M+NH4]+	218.09577	151.2
[M+K]+	239.02511	147.8
[M-H]-	199.05467	144.3
[M+Na-2H]-	221.03662	147.1
[M]+	200.06140	145.4
[M]-	200.06250	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe