CID 2836061

28599-72-6

Structural Information

Molecular Formula

C₁₄H₂₀N₂S

SMILES

C1C2CC3CC1CC(C2)(C3)CC4=CSC(=N4)N

InChI

InChI=1S/C14H20N2S/c15-13-16-12(8-17-13)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h8-11H,1-7H2,(H2,15,16)

InChIKey

LANJJRUDAXCWPQ-UHFFFAOYSA-N

Compound name

4-(1-adamantylmethyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 248.13472 Da
Monoisotopic Mass: 4.4
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]+	249.14200	151.0
[M+Na]+	271.12394	154.5
[M-H]-	247.12744	147.6
[M+NH4]+	266.16854	176.0
[M+K]+	287.09788	150.7
[M+H-H2O]+	231.13198	145.1
[M+HCOO]-	293.13292	155.0
[M+CH3COO]-	307.14857	159.7
[M+Na-2H]-	269.10939	159.0
[M]+	248.13417	152.4
[M]-	248.13527	152.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.