CID 820723

Cyclohexanamine, 1-(2-thienyl)-

Structural Information

Molecular Formula

C₁₀H₁₅NS

SMILES

C1CCC(CC1)(C2=CC=CS2)N

InChI

InChI=1S/C10H15NS/c11-10(6-2-1-3-7-10)9-5-4-8-12-9/h4-5,8H,1-3,6-7,11H2

InChIKey

UJIKDMHWQDKDPV-UHFFFAOYSA-N

Compound name

1-thiophen-2-ylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 47
Patents: 181.09251 Da
Monoisotopic Mass: 2.1
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]+	182.09979	138.9
[M+Na]+	204.08173	148.8
[M+NH4]+	199.12633	150.8
[M+K]+	220.05567	139.9
[M-H]-	180.08523	143.8
[M+Na-2H]-	202.06718	147.2
[M]+	181.09196	142.2
[M]-	181.09306	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe