CID 64369

2-(2-adamantylamino)ethanol hydrochloride

Structural Information

Molecular Formula

C₁₂H₂₁NO

SMILES

C1C2CC3CC1CC(C2)C3NCCO

InChI

InChI=1S/C12H21NO/c14-2-1-13-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-14H,1-7H2

InChIKey

QWEHXCRULFHITF-UHFFFAOYSA-N

Compound name

2-(2-adamantylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 195.16231 Da
Monoisotopic Mass: 1.5
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]+	196.16959	140.7
[M+Na]+	218.15153	149.1
[M+NH4]+	213.19613	152.3
[M+K]+	234.12547	141.7
[M-H]-	194.15503	139.3
[M+Na-2H]-	216.13698	136.8
[M]+	195.16176	141.3
[M]-	195.16286	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe