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]+ 181.097146 136.6
[M+Na]+ 203.079088 144.1
[M-H]- 179.082594 141.1
[M+NH4]+ 198.123693 154.5
[M+K]+ 219.053028 141.8
[M+H-H2O]+ 163.087130 129.9
[M+HCOO]- 225.088071 157.8
[M+CH3COO]- 239.103721 177.5
[M+Na-2H]- 201.064536 141.1
[M]+ 180.08932142 132.3
[M]- 180.09041858 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.