CID 274097

21018-30-4

Structural Information

Molecular Formula

C₇H₁₂N₂O₂S

SMILES

CCOC(=O)NC1=NCC(S1)C

InChI

InChI=1S/C7H12N2O2S/c1-3-11-7(10)9-6-8-4-5(2)12-6/h5H,3-4H2,1-2H3,(H,8,9,10)

InChIKey

JFZLKHMRMDMPCN-UHFFFAOYSA-N

Compound name

ethyl N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 188.06195 Da
Monoisotopic Mass: 1.2
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]+	189.06923	140.2
[M+Na]+	211.05117	147.9
[M-H]-	187.05467	142.9
[M+NH4]+	206.09577	161.0
[M+K]+	227.02511	146.7
[M+H-H2O]+	171.05921	134.0
[M+HCOO]-	233.06015	158.8
[M+CH3COO]-	247.07580	180.1
[M+Na-2H]-	209.03662	141.4
[M]+	188.06140	142.4
[M]-	188.06250	142.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.