CID 79559035

1560125-40-7

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

C1CC2CC1CC2CCCN

InChI

InChI=1S/C10H19N/c11-5-1-2-9-6-8-3-4-10(9)7-8/h8-10H,1-7,11H2

InChIKey

XOTZSNXSBSAQAL-UHFFFAOYSA-N

Compound name

3-(2-bicyclo[2.2.1]heptanyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 153.15175 Da
Monoisotopic Mass: 2.5
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]+	154.159026	137.6
[M+Na]+	176.140968	143.1
[M-H]-	152.144474	139.4
[M+NH4]+	171.185573	163.3
[M+K]+	192.114908	140.7
[M+H-H2O]+	136.149010	132.8
[M+HCOO]-	198.149951	158.9
[M+CH3COO]-	212.165601	179.9
[M+Na-2H]-	174.126416	140.1
[M]+	153.15120142	134.3
[M]-	153.15229858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe