CID 83867750

2-{3-bromo-5h,6h,7h,8h-imidazo[1,2-a]pyridin-6-yl}acetic acid hydrochloride

Structural Information

Molecular Formula
C9H11BrN2O2
SMILES
C1CC2=NC=C(N2CC1CC(=O)O)Br
InChI
InChI=1S/C9H11BrN2O2/c10-7-4-11-8-2-1-6(3-9(13)14)5-12(7)8/h4,6H,1-3,5H2,(H,13,14)
InChIKey
BYWFDBYXWLNQTR-UHFFFAOYSA-N
Compound name
2-(3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0004 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.007676 149.9
[M+Na]+ 280.989618 161.0
[M-H]- 256.993124 153.1
[M+NH4]+ 276.034223 170.0
[M+K]+ 296.963558 150.2
[M+H-H2O]+ 240.997660 149.6
[M+HCOO]- 302.998601 165.7
[M+CH3COO]- 317.014251 188.7
[M+Na-2H]- 278.975066 154.6
[M]+ 257.99985142 166.7
[M]- 258.00094858 166.7
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.