CID 22463559

5-aminoadamantane-1,3-diol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

C1C2CC3(CC1(CC(C2)(C3)O)N)O

InChI

InChI=1S/C10H17NO2/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7,12-13H,1-6,11H2

InChIKey

OTHKXWALZCWLGM-UHFFFAOYSA-N

Compound name

5-aminoadamantane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 183.12593 Da
Monoisotopic Mass: -0.7
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]+	184.133206	145.0
[M+Na]+	206.115148	149.6
[M-H]-	182.118654	138.3
[M+NH4]+	201.159753	173.8
[M+K]+	222.089088	145.7
[M+H-H2O]+	166.123190	139.9
[M+HCOO]-	228.124131	150.6
[M+CH3COO]-	242.139781	153.9
[M+Na-2H]-	204.100596	158.0
[M]+	183.12538142	143.0
[M]-	183.12647858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe