CID 122155803

Rac-(2r,3r)-2-(5-bromopyridin-3-yl)oxolane-3-carboxylic acid

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-bromopyridin-3-yl)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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.99168 152.4
[M+Na]+ 293.97362 162.9
[M-H]- 269.97712 159.7
[M+NH4]+ 289.01822 170.8
[M+K]+ 309.94756 153.4
[M+H-H2O]+ 253.98166 152.0
[M+HCOO]- 315.98260 169.9
[M+CH3COO]- 329.99825 189.2
[M+Na-2H]- 291.95907 156.7
[M]+ 270.98385 169.8
[M]- 270.98495 169.8
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

No patent data available for this compound.