CID 4558721

538328-18-6

Structural Information

Molecular Formula

C₆H₁₀N₂S

SMILES

CC1=CSC(=N1)C(C)N

InChI

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

InChIKey

NSXQYSQZXMGRPJ-UHFFFAOYSA-N

Compound name

1-(4-methyl-1,3-thiazol-2-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 142.05647 Da
Monoisotopic Mass: 0.6
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	127.9
[M+Na]+	165.04569	136.8
[M-H]-	141.04919	130.6
[M+NH4]+	160.09029	150.4
[M+K]+	181.01963	135.0
[M+H-H2O]+	125.05373	122.1
[M+HCOO]-	187.05467	146.9
[M+CH3COO]-	201.07032	174.9
[M+Na-2H]-	163.03114	129.3
[M]+	142.05592	128.3
[M]-	142.05702	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe