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: 7
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	134.2
[M+Na]+	195.01987	142.4
[M-H]-	171.02337	137.0
[M+NH4]+	190.06447	155.3
[M+K]+	210.99381	141.3
[M+H-H2O]+	155.02791	127.9
[M+HCOO]-	217.02885	154.6
[M+CH3COO]-	231.04450	176.3
[M+Na-2H]-	193.00532	137.4
[M]+	172.03010	137.1
[M]-	172.03120	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe