CID 86625

1-adamantanemethylamine

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

1
Annotation Hits: 5
References: 1882
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]+	166.15903	137.4
[M+Na]+	188.14097	146.5
[M+NH4]+	183.18557	151.3
[M+K]+	204.11491	136.7
[M-H]-	164.14447	136.8
[M+Na-2H]-	186.12642	135.6
[M]+	165.15120	138.6
[M]-	165.15230	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe