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]+ 259.00768 149.9
[M+Na]+ 280.98962 161.0
[M-H]- 256.99312 153.1
[M+NH4]+ 276.03422 170.0
[M+K]+ 296.96356 150.2
[M+H-H2O]+ 240.99766 149.6
[M+HCOO]- 302.99860 165.7
[M+CH3COO]- 317.01425 188.7
[M+Na-2H]- 278.97507 154.6
[M]+ 257.99985 166.7
[M]- 258.00095 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.