CID 12203327

4-chloro-5h,6h,7h-cyclopenta[b]pyridine

Structural Information

Molecular Formula
C8H8ClN
SMILES
C1CC2=C(C=CN=C2C1)Cl
InChI
InChI=1S/C8H8ClN/c9-7-4-5-10-8-3-1-2-6(7)8/h4-5H,1-3H2
InChIKey
IGDLNAWHTASKKG-UHFFFAOYSA-N
Compound name
4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

153.03453 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04181 128.7
[M+Na]+ 176.02375 138.7
[M-H]- 152.02725 131.7
[M+NH4]+ 171.06835 152.3
[M+K]+ 191.99769 134.6
[M+H-H2O]+ 136.03179 123.3
[M+HCOO]- 198.03273 146.8
[M+CH3COO]- 212.04838 143.0
[M+Na-2H]- 174.00920 135.7
[M]+ 153.03398 129.0
[M]- 153.03508 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe