CID 45789675

3-bromopyrazolo[1,5-a]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H5BrN2O2
SMILES
C1=CC2=C(C(=NN2C=C1)C(=O)O)Br
InChI
InChI=1S/C8H5BrN2O2/c9-6-5-3-1-2-4-11(5)10-7(6)8(12)13/h1-4H,(H,12,13)
InChIKey
NGRRVZUNAISFSH-UHFFFAOYSA-N
Compound name
3-bromopyrazolo[1,5-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

239.95345 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.960726 139.6
[M+Na]+ 262.942668 153.9
[M-H]- 238.946174 144.1
[M+NH4]+ 257.987273 160.7
[M+K]+ 278.916608 142.9
[M+H-H2O]+ 222.950710 139.6
[M+HCOO]- 284.951651 159.8
[M+CH3COO]- 298.967301 185.0
[M+Na-2H]- 260.928116 147.8
[M]+ 239.95290142 160.1
[M]- 239.95399858 160.1
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