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]+ 241.981126 145.1
[M+Na]+ 263.963068 157.2
[M-H]- 239.966574 150.1
[M+NH4]+ 259.007673 167.3
[M+K]+ 279.937008 146.3
[M+H-H2O]+ 223.971110 145.6
[M+HCOO]- 285.972051 163.4
[M+CH3COO]- 299.987701 185.7
[M+Na-2H]- 261.948516 150.8
[M]+ 240.97330142 162.7
[M]- 240.97439858 162.7
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.