CID 22297531

3beta,6beta-dihydroxynortropane

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1C2CC(C(N2)CC1O)O

InChI

InChI=1S/C7H13NO2/c9-5-1-4-2-7(10)6(3-5)8-4/h4-10H,1-3H2

InChIKey

MVUIPZFMWQBRCM-UHFFFAOYSA-N

Compound name

8-azabicyclo[3.2.1]octane-3,6-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 143.09464 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]+	144.10192	129.0
[M+Na]+	166.08386	137.4
[M+NH4]+	161.12846	137.3
[M+K]+	182.05780	134.8
[M-H]-	142.08736	127.6
[M+Na-2H]-	164.06931	129.4
[M]+	143.09409	129.3
[M]-	143.09519	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe