CID 16494915

[1-(thiophen-2-yl)cyclohexyl]methanamine

Structural Information

Molecular Formula

C₁₁H₁₇NS

SMILES

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

InChI

InChI=1S/C11H17NS/c12-9-11(6-2-1-3-7-11)10-5-4-8-13-10/h4-5,8H,1-3,6-7,9,12H2

InChIKey

QVLGCILLMAUJBI-UHFFFAOYSA-N

Compound name

(1-thiophen-2-ylcyclohexyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 15
Patents: 195.10817 Da
Monoisotopic Mass: 2.9
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]+	196.115446	143.2
[M+Na]+	218.097388	148.8
[M-H]-	194.100894	148.9
[M+NH4]+	213.141993	166.1
[M+K]+	234.071328	145.4
[M+H-H2O]+	178.105430	137.5
[M+HCOO]-	240.106371	160.5
[M+CH3COO]-	254.122021	155.5
[M+Na-2H]-	216.082836	145.1
[M]+	195.10762142	138.9
[M]-	195.10871858	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe