CID 54582372

Chembl1774313

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

CC(C12CC3CC(C1)CC2C3)N

InChI

InChI=1S/C11H19N/c1-7(12)11-5-8-2-9(6-11)4-10(11)3-8/h7-10H,2-6,12H2,1H3

InChIKey

FXHSVMUTRZPZBF-UHFFFAOYSA-N

Compound name

1-(3-tricyclo[3.3.1.03,7]nonanyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 165.15175 Da
Monoisotopic Mass: 2.3
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]+	166.15903	140.7
[M+Na]+	188.14097	144.7
[M-H]-	164.14447	138.0
[M+NH4]+	183.18557	171.1
[M+K]+	204.11491	141.5
[M+H-H2O]+	148.14901	137.0
[M+HCOO]-	210.14995	152.9
[M+CH3COO]-	224.16560	151.5
[M+Na-2H]-	186.12642	146.8
[M]+	165.15120	140.2
[M]-	165.15230	140.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.