CID 227405

4448-84-4

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

C1CCCC(CC1)CCN

InChI

InChI=1S/C9H19N/c10-8-7-9-5-3-1-2-4-6-9/h9H,1-8,10H2

InChIKey

TVNJOEXFIFMSSH-UHFFFAOYSA-N

Compound name

2-cycloheptylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 141.15175 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]+	142.159026	129.0
[M+Na]+	164.140968	130.5
[M-H]-	140.144474	132.0
[M+NH4]+	159.185573	148.3
[M+K]+	180.114908	133.4
[M+H-H2O]+	124.149010	123.8
[M+HCOO]-	186.149951	148.8
[M+CH3COO]-	200.165601	178.7
[M+Na-2H]-	162.126416	133.3
[M]+	141.15120142	120.0
[M]-	141.15229858	120.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe