CID 122155803

1955541-49-7

Structural Information

Molecular Formula

C₁₀H₁₀BrNO₃

SMILES

C1CO[C@H]([C@@H]1C(=O)O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C10H10BrNO3/c11-7-3-6(4-12-5-7)9-8(10(13)14)1-2-15-9/h3-5,8-9H,1-2H2,(H,13,14)/t8-,9+/m1/s1

InChIKey

NHZNPAYDTGNYOJ-BDAKNGLRSA-N

Compound name

(2R,3R)-2-(5-bromo-3-pyridinyl)oxolane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.9844 Da
Monoisotopic Mass: 0.9
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]+	271.991676	152.4
[M+Na]+	293.973618	162.9
[M-H]-	269.977124	159.7
[M+NH4]+	289.018223	170.8
[M+K]+	309.947558	153.4
[M+H-H2O]+	253.981660	152.0
[M+HCOO]-	315.982601	169.9
[M+CH3COO]-	329.998251	189.2
[M+Na-2H]-	291.959066	156.7
[M]+	270.98385142	169.8
[M]-	270.98494858	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.