CID 83867601

1-bromo-5h,6h,7h,8h-imidazo[1,5-a]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
C1CCN2C(=C(N=C2C(=O)O)Br)C1
InChI
InChI=1S/C8H9BrN2O2/c9-6-5-3-1-2-4-11(5)7(10-6)8(12)13/h1-4H2,(H,12,13)
InChIKey
GUWDASFJHMNMMP-UHFFFAOYSA-N
Compound name
1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.98474 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99202 145.3
[M+Na]+ 266.97396 156.8
[M-H]- 242.97746 148.7
[M+NH4]+ 262.01856 166.0
[M+K]+ 282.94790 146.2
[M+H-H2O]+ 226.98200 145.2
[M+HCOO]- 288.98294 161.4
[M+CH3COO]- 302.99859 185.9
[M+Na-2H]- 264.95941 150.5
[M]+ 243.98419 161.8
[M]- 243.98529 161.8
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