CID 110733

54423-01-7

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC(C1CCCCC1)N

InChI

InChI=1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3

InChIKey

XBWOPGDJMAJJDG-UHFFFAOYSA-N

Compound name

1-cyclohexylethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 4637
Patents: 127.1361 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]+	128.14338	130.1
[M+Na]+	150.12532	133.7
[M-H]-	126.12882	132.2
[M+NH4]+	145.16992	151.4
[M+K]+	166.09926	132.9
[M+H-H2O]+	110.13336	124.6
[M+HCOO]-	172.13430	150.0
[M+CH3COO]-	186.14995	174.4
[M+Na-2H]-	148.11077	133.8
[M]+	127.13555	122.9
[M]-	127.13665	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe