CID 45121759

2219371-68-1

Structural Information

Molecular Formula

C₆H₁₀N₂S

SMILES

CCCC1=NC=C(S1)N

InChI

InChI=1S/C6H10N2S/c1-2-3-6-8-4-5(7)9-6/h4H,2-3,7H2,1H3

InChIKey

HLKFIQPCRMQAAM-UHFFFAOYSA-N

Compound name

2-propyl-1,3-thiazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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	127.1
[M+Na]+	165.04569	136.4
[M-H]-	141.04919	129.6
[M+NH4]+	160.09029	149.6
[M+K]+	181.01963	134.0
[M+H-H2O]+	125.05373	121.2
[M+HCOO]-	187.05467	147.2
[M+CH3COO]-	201.07032	174.1
[M+Na-2H]-	163.03114	129.6
[M]+	142.05592	128.1
[M]-	142.05702	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe