CID 82387219

1368144-86-8

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
C1CC2=CC(=C(N=C2C1)Br)C(=O)O
InChI
InChI=1S/C9H8BrNO2/c10-8-6(9(12)13)4-5-2-1-3-7(5)11-8/h4H,1-3H2,(H,12,13)
InChIKey
WDJPNWHCPKVXQA-UHFFFAOYSA-N
Compound name
2-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.97385 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98113 146.2
[M+Na]+ 263.96307 148.3
[M+NH4]+ 259.00767 150.7
[M+K]+ 279.93701 150.5
[M-H]- 239.96657 145.4
[M+Na-2H]- 261.94852 147.3
[M]+ 240.97330 144.9
[M]- 240.97440 144.9
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.