CID 124708908

Rac-(2r,3s)-2-(pyridin-4-yl)oxolan-3-amine dihydrochloride

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1CO[C@H]([C@@H]1N)C2=CC=NC=C2
InChI
InChI=1S/C9H12N2O/c10-8-3-6-12-9(8)7-1-4-11-5-2-7/h1-2,4-5,8-9H,3,6,10H2/t8-,9+/m1/s1
InChIKey
DNJJXTGHLCEGKC-BDAKNGLRSA-N
Compound name
(2S,3R)-2-pyridin-4-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]+ 165.10224 133.4
[M+Na]+ 187.08418 140.2
[M-H]- 163.08768 138.8
[M+NH4]+ 182.12878 152.4
[M+K]+ 203.05812 139.0
[M+H-H2O]+ 147.09222 126.3
[M+HCOO]- 209.09316 155.8
[M+CH3COO]- 223.10881 146.8
[M+Na-2H]- 185.06963 139.1
[M]+ 164.09441 129.9
[M]- 164.09551 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.