CID 87384653

2947426-57-3

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃S

SMILES

CC(C)(C)OC(=O)NCCC1=NC=C(S1)C=O

InChI

InChI=1S/C11H16N2O3S/c1-11(2,3)16-10(15)12-5-4-9-13-6-8(7-14)17-9/h6-7H,4-5H2,1-3H3,(H,12,15)

InChIKey

JICLBOICZPPTJJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 256.08817 Da
Monoisotopic Mass: 1.7
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]+	257.095446	159.8
[M+Na]+	279.077388	167.1
[M-H]-	255.080894	162.4
[M+NH4]+	274.121993	177.8
[M+K]+	295.051328	165.1
[M+H-H2O]+	239.085430	153.4
[M+HCOO]-	301.086371	177.4
[M+CH3COO]-	315.102021	193.2
[M+Na-2H]-	277.062836	161.0
[M]+	256.08762142	165.0
[M]-	256.08871858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.