CID 121552775

Rac-(2r,3s)-2-(5-bromopyridin-3-yl)oxolan-3-amine dihydrochloride

Structural Information

Molecular Formula
C9H11BrN2O
SMILES
C1CO[C@H]([C@@H]1N)C2=CC(=CN=C2)Br
InChI
InChI=1S/C9H11BrN2O/c10-7-3-6(4-12-5-7)9-8(11)1-2-13-9/h3-5,8-9H,1-2,11H2/t8-,9+/m1/s1
InChIKey
BIYWLJOOUXCBQB-BDAKNGLRSA-N
Compound name
(2S,3R)-2-(5-bromopyridin-3-yl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

242.00548 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01276 147.1
[M+Na]+ 264.99470 157.8
[M-H]- 240.99820 155.2
[M+NH4]+ 260.03930 166.9
[M+K]+ 280.96864 147.8
[M+H-H2O]+ 225.00274 146.1
[M+HCOO]- 287.00368 167.0
[M+CH3COO]- 301.01933 161.7
[M+Na-2H]- 262.98015 152.8
[M]+ 242.00493 162.8
[M]- 242.00603 162.8
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

patents stripe