CID 130116182

2241131-20-2

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
C1C(CC2=C1C=C(C=N2)Br)C(=O)O
InChI
InChI=1S/C9H8BrNO2/c10-7-2-5-1-6(9(12)13)3-8(5)11-4-7/h2,4,6H,1,3H2,(H,12,13)
InChIKey
HRTOINWFTUWXRA-UHFFFAOYSA-N
Compound name
3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.97385 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98113 145.1
[M+Na]+ 263.96307 157.2
[M-H]- 239.96657 150.1
[M+NH4]+ 259.00767 167.3
[M+K]+ 279.93701 146.3
[M+H-H2O]+ 223.97111 145.6
[M+HCOO]- 285.97205 163.4
[M+CH3COO]- 299.98770 185.7
[M+Na-2H]- 261.94852 150.8
[M]+ 240.97330 162.7
[M]- 240.97440 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.