CID 54064485

3-cycloheptylpropan-1-amine

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

C1CCCC(CC1)CCCN

InChI

InChI=1S/C10H21N/c11-9-5-8-10-6-3-1-2-4-7-10/h10H,1-9,11H2

InChIKey

PZJDCELJYZBWDK-UHFFFAOYSA-N

Compound name

3-cycloheptylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 155.1674 Da
Monoisotopic Mass: 3.3
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]+	156.17468	133.4
[M+Na]+	178.15662	134.5
[M-H]-	154.16012	136.2
[M+NH4]+	173.20122	152.1
[M+K]+	194.13056	137.1
[M+H-H2O]+	138.16466	128.0
[M+HCOO]-	200.16560	152.8
[M+CH3COO]-	214.18125	181.6
[M+Na-2H]-	176.14207	137.1
[M]+	155.16685	124.7
[M]-	155.16795	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe