CID 12531961

72632-66-7

Structural Information

Molecular Formula

C₆H₁₀N₂S

SMILES

CC(C)C1=C(SC=N1)N

InChI

InChI=1S/C6H10N2S/c1-4(2)5-6(7)9-3-8-5/h3-4H,7H2,1-2H3

InChIKey

BOPCJXDJCSOVGI-UHFFFAOYSA-N

Compound name

4-propan-2-yl-1,3-thiazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 142.05647 Da
Monoisotopic Mass: 1.8
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]+	143.06375	128.7
[M+Na]+	165.04569	138.8
[M+NH4]+	160.09029	137.8
[M+K]+	181.01963	133.5
[M-H]-	141.04919	130.5
[M+Na-2H]-	163.03114	133.5
[M]+	142.05592	130.9
[M]-	142.05702	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe