CID 938533

2-chloro-5h,6h,7h-cyclopenta[b]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C9H7ClN2
SMILES
C1CC2=CC(=C(N=C2C1)Cl)C#N
InChI
InChI=1S/C9H7ClN2/c10-9-7(5-11)4-6-2-1-3-8(6)12-9/h4H,1-3H2
InChIKey
WVPJKOKOAYOHFA-UHFFFAOYSA-N
Compound name
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

32
Patents

178.02977 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.037046 136.9
[M+Na]+ 201.018988 149.7
[M-H]- 177.022494 139.4
[M+NH4]+ 196.063593 157.4
[M+K]+ 216.992928 142.9
[M+H-H2O]+ 161.027030 124.8
[M+HCOO]- 223.027971 151.6
[M+CH3COO]- 237.043621 149.4
[M+Na-2H]- 199.004436 142.3
[M]+ 178.02922142 132.8
[M]- 178.03031858 132.8
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