CID 53393345

391668-77-2

Structural Information

Molecular Formula

C₉H₁₂N₂O₃S

SMILES

CC(C)(C)OC(=O)NC1=NC=C(S1)C=O

InChI

InChI=1S/C9H12N2O3S/c1-9(2,3)14-8(13)11-7-10-4-6(5-12)15-7/h4-5H,1-3H3,(H,10,11,13)

InChIKey

LKFCHUSAPKBABQ-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-formyl-1,3-thiazol-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 228.05687 Da
Monoisotopic Mass: 1.6
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]+	229.06415	152.3
[M+Na]+	251.04609	160.4
[M+NH4]+	246.09069	158.4
[M+K]+	267.02003	156.7
[M-H]-	227.04959	151.4
[M+Na-2H]-	249.03154	155.0
[M]+	228.05632	153.3
[M]-	228.05742	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe