CID 59555815

881204-65-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

196.98401 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.99129 135.3
[M+Na]+ 219.97323 147.8
[M-H]- 195.97673 141.3
[M+NH4]+ 215.01783 159.9
[M+K]+ 235.94717 137.2
[M+H-H2O]+ 179.98127 135.8
[M+HCOO]- 241.98221 155.9
[M+CH3COO]- 255.99786 151.2
[M+Na-2H]- 217.95868 143.7
[M]+ 196.98346 152.6
[M]- 196.98456 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