CID 124511857

Rac-(2r,3s)-2-(pyridin-3-yl)oxolan-3-amine dihydrochloride

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1CO[C@H]([C@@H]1N)C2=CN=CC=C2
InChI
InChI=1S/C9H12N2O/c10-8-3-5-12-9(8)7-2-1-4-11-6-7/h1-2,4,6,8-9H,3,5,10H2/t8-,9+/m1/s1
InChIKey
LYPUGHDFPYWKIG-BDAKNGLRSA-N
Compound name
(2S,3R)-2-pyridin-3-yloxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.09496 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 133.4
[M+Na]+ 187.084178 140.2
[M-H]- 163.087684 138.8
[M+NH4]+ 182.128783 152.4
[M+K]+ 203.058118 139.0
[M+H-H2O]+ 147.092220 126.3
[M+HCOO]- 209.093161 155.8
[M+CH3COO]- 223.108811 146.8
[M+Na-2H]- 185.069626 139.1
[M]+ 164.09441142 129.9
[M]- 164.09550858 129.9
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.