CID 42609290

2-chloro-5h,6h,7h-cyclopenta[b]pyridin-7-ol

Structural Information

Molecular Formula
C8H8ClNO
SMILES
C1CC2=C(C1O)N=C(C=C2)Cl
InChI
InChI=1S/C8H8ClNO/c9-7-4-2-5-1-3-6(11)8(5)10-7/h2,4,6,11H,1,3H2
InChIKey
XZVGQEYEEUNMQM-UHFFFAOYSA-N
Compound name
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

169.02943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03671 131.8
[M+Na]+ 192.01865 142.3
[M-H]- 168.02215 134.0
[M+NH4]+ 187.06325 154.4
[M+K]+ 207.99259 137.8
[M+H-H2O]+ 152.02669 127.0
[M+HCOO]- 214.02763 148.7
[M+CH3COO]- 228.04328 145.8
[M+Na-2H]- 190.00410 137.8
[M]+ 169.02888 132.2
[M]- 169.02998 132.2
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