CID 86625

Tricyclo(3.3.1.13,7)dec-1-ylmethylamine

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

C1C2CC3CC1CC(C2)(C3)CN

InChI

InChI=1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2

InChIKey

XSOHXMFFSKTSIT-UHFFFAOYSA-N

Compound name

1-adamantylmethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 2024
Patents: 165.15175 Da
Monoisotopic Mass: 2.2
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]+	166.159026	138.8
[M+Na]+	188.140968	141.1
[M-H]-	164.144474	133.9
[M+NH4]+	183.185573	165.8
[M+K]+	204.114908	137.8
[M+H-H2O]+	148.149010	133.1
[M+HCOO]-	210.149951	147.0
[M+CH3COO]-	224.165601	148.1
[M+Na-2H]-	186.126416	150.0
[M]+	165.15120142	136.2
[M]-	165.15229858	136.2

Literature stripe

literature stripe

Patent stripe

patents stripe