CID 121605273

Rac-5-[(2r,3s)-3-aminooxolan-2-yl]-1,2-dihydropyridin-2-one hydrochloride

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1CO[C@H]([C@@H]1N)C2=CNC(=O)C=C2
InChI
InChI=1S/C9H12N2O2/c10-7-3-4-13-9(7)6-1-2-8(12)11-5-6/h1-2,5,7,9H,3-4,10H2,(H,11,12)/t7-,9+/m1/s1
InChIKey
ZWSHRLIYBBOYMC-APPZFPTMSA-N
Compound name
5-[(2S,3R)-3-aminooxolan-2-yl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 136.6
[M+Na]+ 203.07909 144.1
[M-H]- 179.08259 141.1
[M+NH4]+ 198.12369 154.5
[M+K]+ 219.05303 141.8
[M+H-H2O]+ 163.08713 129.9
[M+HCOO]- 225.08807 157.8
[M+CH3COO]- 239.10372 177.5
[M+Na-2H]- 201.06454 141.1
[M]+ 180.08932 132.3
[M]- 180.09042 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.