CID 21780304

136539-01-0

Structural Information

Molecular Formula

C₆H₇ClN₂O₂S

SMILES

CCOC(=O)C1=C(SC(=N1)N)Cl

InChI

InChI=1S/C6H7ClN2O2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3,(H2,8,9)

InChIKey

JILQJAVCOAVWCC-UHFFFAOYSA-N

Compound name

ethyl 2-amino-5-chloro-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 205.99167 Da
Monoisotopic Mass: 2.1
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]+	206.99895	141.2
[M+Na]+	228.98089	151.5
[M+NH4]+	224.02549	148.9
[M+K]+	244.95483	146.4
[M-H]-	204.98439	141.7
[M+Na-2H]-	226.96634	144.7
[M]+	205.99112	143.2
[M]-	205.99222	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe