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-bromo-3-pyridinyl)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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.012756	147.1
[M+Na]+	264.994698	157.8
[M-H]-	240.998204	155.2
[M+NH4]+	260.039303	166.9
[M+K]+	280.968638	147.8
[M+H-H2O]+	225.002740	146.1
[M+HCOO]-	287.003681	167.0
[M+CH3COO]-	301.019331	161.7
[M+Na-2H]-	262.980146	152.8
[M]+	242.00493142	162.8
[M]-	242.00602858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe