CID 77241

2-thiazolecarbamic acid, ethyl ester

Structural Information

Molecular Formula

C₆H₈N₂O₂S

SMILES

CCOC(=O)NC1=NC=CS1

InChI

InChI=1S/C6H8N2O2S/c1-2-10-6(9)8-5-7-3-4-11-5/h3-4H,2H2,1H3,(H,7,8,9)

InChIKey

UGOCIZBVCIURJA-UHFFFAOYSA-N

Compound name

ethyl N-(1,3-thiazol-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 172.03065 Da
Monoisotopic Mass: 1.5
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]+	173.03793	135.4
[M+Na]+	195.01987	144.6
[M+NH4]+	190.06447	143.2
[M+K]+	210.99381	139.7
[M-H]-	171.02337	136.0
[M+Na-2H]-	193.00532	139.8
[M]+	172.03010	137.0
[M]-	172.03120	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe