CID 15012906

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

Structural Information

Molecular Formula
C8H8ClN
SMILES
C1CC2=C(C1)N=C(C=C2)Cl
InChI
InChI=1S/C8H8ClN/c9-8-5-4-6-2-1-3-7(6)10-8/h4-5H,1-3H2
InChIKey
PBMLTRUXYZHCFT-UHFFFAOYSA-N
Compound name
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

153.03453 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.041806 128.7
[M+Na]+ 176.023748 138.7
[M-H]- 152.027254 131.7
[M+NH4]+ 171.068353 152.3
[M+K]+ 191.997688 134.6
[M+H-H2O]+ 136.031790 123.3
[M+HCOO]- 198.032731 146.8
[M+CH3COO]- 212.048381 143.0
[M+Na-2H]- 174.009196 135.7
[M]+ 153.03398142 129.0
[M]- 153.03507858 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

No literature data available for this compound.

Patent stripe

patents stripe