CID 3527029

3-(2-aminoethyl)adamantan-1-olhydrochloride

Structural Information

Molecular Formula

C₁₂H₂₁NO

SMILES

C1C2CC3(CC1CC(C2)(C3)O)CCN

InChI

InChI=1S/C12H21NO/c13-2-1-11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10,14H,1-8,13H2

InChIKey

MGJUIYJDXXKQJS-UHFFFAOYSA-N

Compound name

3-(2-aminoethyl)adamantan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
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	146.8
[M+Na]+	218.15153	154.7
[M+NH4]+	213.19613	160.9
[M+K]+	234.12547	143.7
[M-H]-	194.15503	145.1
[M+Na-2H]-	216.13698	145.0
[M]+	195.16176	147.6
[M]-	195.16286	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe