CID 139271036

1433992-69-8

Structural Information

Molecular Formula

C₉H₁₂N₂O₃S

SMILES

CC(C)(C)OC(=O)NC1=C(SC=N1)C=O

InChI

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

InChIKey

FARXQHJGOCNJGT-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-formyl-1,3-thiazol-4-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 228.05687 Da
Monoisotopic Mass: 2.2
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]+	229.064146	150.9
[M+Na]+	251.046088	159.1
[M-H]-	227.049594	153.9
[M+NH4]+	246.090693	170.0
[M+K]+	267.020028	157.6
[M+H-H2O]+	211.054130	144.9
[M+HCOO]-	273.055071	169.2
[M+CH3COO]-	287.070721	187.2
[M+Na-2H]-	249.031536	153.0
[M]+	228.05632142	155.4
[M]-	228.05741858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe