CID 127255391

6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H7BrN2O3
SMILES
COC1=CC(=CN2C1=C(C=N2)C(=O)O)Br
InChI
InChI=1S/C9H7BrN2O3/c1-15-7-2-5(10)4-12-8(7)6(3-11-12)9(13)14/h2-4H,1H3,(H,13,14)
InChIKey
BGKFALGNEKIVLS-UHFFFAOYSA-N
Compound name
6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

269.964 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.97128 146.3
[M+Na]+ 292.95322 160.8
[M-H]- 268.95672 151.0
[M+NH4]+ 287.99782 166.4
[M+K]+ 308.92716 150.1
[M+H-H2O]+ 252.96126 146.0
[M+HCOO]- 314.96220 166.3
[M+CH3COO]- 328.97785 190.9
[M+Na-2H]- 290.93867 153.4
[M]+ 269.96345 168.8
[M]- 269.96455 168.8
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

patents stripe