CID 46864154

3-bromo-5h,6h,7h-cyclopenta[b]pyridin-7-ol

Structural Information

Molecular Formula
C8H8BrNO
SMILES
C1CC2=C(C1O)N=CC(=C2)Br
InChI
InChI=1S/C8H8BrNO/c9-6-3-5-1-2-7(11)8(5)10-4-6/h3-4,7,11H,1-2H2
InChIKey
OKOCPAPHUOPWDC-UHFFFAOYSA-N
Compound name
3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

212.97893 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98621 138.6
[M+Na]+ 235.96815 151.3
[M-H]- 211.97165 143.7
[M+NH4]+ 231.01275 162.1
[M+K]+ 251.94209 140.3
[M+H-H2O]+ 195.97619 139.3
[M+HCOO]- 257.97713 157.9
[M+CH3COO]- 271.99278 154.0
[M+Na-2H]- 233.95360 145.9
[M]+ 212.97838 155.8
[M]- 212.97948 155.8
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