CID 83680316

3-chloro-5h,6h,7h-cyclopenta[c]pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

153.03453 Da
Monoisotopic Mass

2.6
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

No literature data available for this compound.

Patent stripe

patents stripe