CID 3055296

2-thiazoline, 2-((cyclohexylmethyl)amino)-

Structural Information

Molecular Formula

C₁₀H₁₈N₂S

SMILES

C1CCC(CC1)CNC2=NCCS2

InChI

InChI=1S/C10H18N2S/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h9H,1-8H2,(H,11,12)

InChIKey

KIBIZCCCSVLYSL-UHFFFAOYSA-N

Compound name

N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 198.11906 Da
Monoisotopic Mass: 2.5
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]+	199.12634	144.0
[M+Na]+	221.10828	148.1
[M-H]-	197.11178	148.2
[M+NH4]+	216.15288	163.6
[M+K]+	237.08222	145.4
[M+H-H2O]+	181.11632	136.7
[M+HCOO]-	243.11726	159.5
[M+CH3COO]-	257.13291	155.2
[M+Na-2H]-	219.09373	144.9
[M]+	198.11851	139.0
[M]-	198.11961	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe