CID 21609

N-ethylcyclohexylamine

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CCNC1CCCCC1

InChI

InChI=1S/C8H17N/c1-2-9-8-6-4-3-5-7-8/h8-9H,2-7H2,1H3

InChIKey

AGVKXDPPPSLISR-UHFFFAOYSA-N

Compound name

N-ethylcyclohexanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 14689
Patents: 127.1361 Da
Monoisotopic Mass: 2.0
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	128.9
[M+Na]+	150.12532	132.7
[M-H]-	126.12882	131.5
[M+NH4]+	145.16992	150.5
[M+K]+	166.09926	131.8
[M+H-H2O]+	110.13336	123.3
[M+HCOO]-	172.13430	150.5
[M+CH3COO]-	186.14995	174.2
[M+Na-2H]-	148.11077	135.0
[M]+	127.13555	123.4
[M]-	127.13665	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe