CID 789687

4-aminoadamantan-1-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

C1[C@@H]2CC3(C[C@@H](C2N)CC1C3)O

InChI

InChI=1S/C10H17NO/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9,12H,1-5,11H2/t6?,7-,8+,9?,10?

InChIKey

HMPCLMSUNVOZLH-ALPUWHEMSA-N

Compound name

(3R,5S)-4-aminoadamantan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 704
Patents: 167.13101 Da
Monoisotopic Mass: 0.4
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]+	168.13829	138.4
[M+Na]+	190.12023	141.6
[M-H]-	166.12373	132.6
[M+NH4]+	185.16483	164.9
[M+K]+	206.09417	138.4
[M+H-H2O]+	150.12827	133.5
[M+HCOO]-	212.12921	145.5
[M+CH3COO]-	226.14486	147.6
[M+Na-2H]-	188.10568	149.4
[M]+	167.13046	135.8
[M]-	167.13156	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe