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: 3
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	130.4
[M+Na]+	166.08386	136.8
[M-H]-	142.08736	127.7
[M+NH4]+	161.12846	152.1
[M+K]+	182.05780	133.8
[M+H-H2O]+	126.09190	126.1
[M+HCOO]-	188.09284	144.8
[M+CH3COO]-	202.10849	166.7
[M+Na-2H]-	164.06931	134.6
[M]+	143.09409	124.0
[M]-	143.09519	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe