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

52
Patents

212.97893 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.986206 138.6
[M+Na]+ 235.968148 151.3
[M-H]- 211.971654 143.7
[M+NH4]+ 231.012753 162.1
[M+K]+ 251.942088 140.3
[M+H-H2O]+ 195.976190 139.3
[M+HCOO]- 257.977131 157.9
[M+CH3COO]- 271.992781 154.0
[M+Na-2H]- 233.953596 145.9
[M]+ 212.97838142 155.8
[M]- 212.97947858 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