CID 4486820

Schembl2435210

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

C1CC2(C(C(CC1N2)O)O)O

InChI

InChI=1S/C7H13NO3/c9-5-3-4-1-2-7(11,8-4)6(5)10/h4-6,8-11H,1-3H2

InChIKey

XOCBOVUINUHZJA-UHFFFAOYSA-N

Compound name

8-azabicyclo[3.2.1]octane-1,2,3-triol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 76
Patents: 159.08954 Da
Monoisotopic Mass: -1.5
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]+	160.09682	132.6
[M+Na]+	182.07876	140.1
[M+NH4]+	177.12336	141.4
[M+K]+	198.05270	136.6
[M-H]-	158.08226	130.2
[M+Na-2H]-	180.06421	133.6
[M]+	159.08899	132.6
[M]-	159.09009	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe