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-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 153.8
[M+Na]+ 293.97362 155.8
[M+NH4]+ 289.01822 157.5
[M+K]+ 309.94756 158.7
[M-H]- 269.97712 155.0
[M+Na-2H]- 291.95907 155.4
[M]+ 270.98385 153.0
[M]- 270.98495 153.0
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.