CID 54564119

232612-30-5

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂S

SMILES

CC(C)(C)OC(=O)NCC1=NC=C(S1)C#N

InChI

InChI=1S/C10H13N3O2S/c1-10(2,3)15-9(14)13-6-8-12-5-7(4-11)16-8/h5H,6H2,1-3H3,(H,13,14)

InChIKey

ZSQARDQMIGWDBZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 239.07285 Da
Monoisotopic Mass: 1.5
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]+	240.080126	160.5
[M+Na]+	262.062068	169.7
[M-H]-	238.065574	163.1
[M+NH4]+	257.106673	177.2
[M+K]+	278.036008	168.2
[M+H-H2O]+	222.070110	147.3
[M+HCOO]-	284.071051	174.5
[M+CH3COO]-	298.086701	201.6
[M+Na-2H]-	260.047516	161.5
[M]+	239.07230142	158.9
[M]-	239.07339858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe