CID 83668983

1256819-57-4

Structural Information

Molecular Formula
C8H8BrN
SMILES
C1CC2=CN=CC(=C2C1)Br
InChI
InChI=1S/C8H8BrN/c9-8-5-10-4-6-2-1-3-7(6)8/h4-5H,1-3H2
InChIKey
MQAODUBQMCJOEQ-UHFFFAOYSA-N
Compound name
4-bromo-6,7-dihydro-5H-cyclopenta[c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

196.98401 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.991286 135.3
[M+Na]+ 219.973228 147.8
[M-H]- 195.976734 141.3
[M+NH4]+ 215.017833 159.9
[M+K]+ 235.947168 137.2
[M+H-H2O]+ 179.981270 135.8
[M+HCOO]- 241.982211 155.9
[M+CH3COO]- 255.997861 151.2
[M+Na-2H]- 217.958676 143.7
[M]+ 196.98346142 152.6
[M]- 196.98455858 152.6
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

patents stripe