CID 57737416

1056942-45-0

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂S

SMILES

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

InChI

InChI=1S/C10H12N2O2S/c1-5-7-6-11-8(15-7)12-9(13)14-10(2,3)4/h1,6H,2-4H3,(H,11,12,13)

InChIKey

CNTJFZSVGGRYNF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 224.06195 Da
Monoisotopic Mass: 2.1
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]+	225.069226	157.6
[M+Na]+	247.051168	167.5
[M-H]-	223.054674	159.2
[M+NH4]+	242.095773	174.7
[M+K]+	263.025108	165.1
[M+H-H2O]+	207.059210	145.2
[M+HCOO]-	269.060151	169.5
[M+CH3COO]-	283.075801	194.9
[M+Na-2H]-	245.036616	157.7
[M]+	224.06140142	155.1
[M]-	224.06249858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe