CID 172643026

Ttd96390

Structural Information

Molecular Formula

C₅H₁₀N₂O₂

SMILES

C1C2C(C(C1NN2)O)O

InChI

InChI=1S/C5H10N2O2/c8-4-2-1-3(5(4)9)7-6-2/h2-9H,1H2

InChIKey

PSUFNXONKRDRDK-UHFFFAOYSA-N

Compound name

2,3-diazabicyclo[2.2.1]heptane-5,6-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 130.07423 Da
Monoisotopic Mass: -1.6
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]+	131.08151	127.6
[M+Na]+	153.06345	135.2
[M-H]-	129.06695	122.8
[M+NH4]+	148.10805	149.5
[M+K]+	169.03739	132.1
[M+H-H2O]+	113.07149	123.1
[M+HCOO]-	175.07243	142.0
[M+CH3COO]-	189.08808	139.1
[M+Na-2H]-	151.04890	130.6
[M]+	130.07368	121.3
[M]-	130.07478	121.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.