CID 83678830

1782051-01-7

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
C1CN2C(=CN=C2Br)CC1C(=O)O
InChI
InChI=1S/C8H9BrN2O2/c9-8-10-4-6-3-5(7(12)13)1-2-11(6)8/h4-5H,1-3H2,(H,12,13)
InChIKey
JRADPOJQANPXFM-UHFFFAOYSA-N
Compound name
3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.98474 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99202 148.4
[M+Na]+ 266.97396 149.7
[M+NH4]+ 262.01856 152.3
[M+K]+ 282.94790 152.4
[M-H]- 242.97746 146.7
[M+Na-2H]- 264.95941 148.4
[M]+ 243.98419 146.6
[M]- 243.98529 146.6
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.