CID 10486875

Rac-(1r,4r,5r,6s)-2-azabicyclo[2.2.1]heptane-5,6-diol hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1[C@H]2CN[C@@H]1[C@H]([C@H]2O)O

InChI

InChI=1S/C6H11NO2/c8-5-3-1-4(6(5)9)7-2-3/h3-9H,1-2H2/t3-,4-,5-,6+/m0/s1

InChIKey

SXXKDKGXKJEHOM-OMMKOOBNSA-N

Compound name

(1S,4S,5S,6R)-2-azabicyclo[2.2.1]heptane-5,6-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 129.07898 Da
Monoisotopic Mass: -1.2
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]+	130.086256	127.1
[M+Na]+	152.068198	134.8
[M-H]-	128.071704	125.0
[M+NH4]+	147.112803	151.2
[M+K]+	168.042138	132.1
[M+H-H2O]+	112.076240	123.3
[M+HCOO]-	174.077181	144.0
[M+CH3COO]-	188.092831	163.8
[M+Na-2H]-	150.053646	130.3
[M]+	129.07843142	122.5
[M]-	129.07952858	122.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.