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: 68
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]+	143.063746	127.9
[M+Na]+	165.045688	136.8
[M-H]-	141.049194	130.6
[M+NH4]+	160.090293	150.4
[M+K]+	181.019628	135.0
[M+H-H2O]+	125.053730	122.1
[M+HCOO]-	187.054671	146.9
[M+CH3COO]-	201.070321	174.9
[M+Na-2H]-	163.031136	129.3
[M]+	142.05592142	128.3
[M]-	142.05701858	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe