CID 83817096

1547080-68-1

Structural Information

Molecular Formula
C9H8ClNO
SMILES
C1CC2=CC(=C(N=C2C1)Cl)C=O
InChI
InChI=1S/C9H8ClNO/c10-9-7(5-12)4-6-2-1-3-8(6)11-9/h4-5H,1-3H2
InChIKey
OGBRKXNGQAKCPA-UHFFFAOYSA-N
Compound name
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.02943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03671 135.2
[M+Na]+ 204.01865 145.9
[M-H]- 180.02215 138.5
[M+NH4]+ 199.06325 157.9
[M+K]+ 219.99259 141.5
[M+H-H2O]+ 164.02669 129.9
[M+HCOO]- 226.02763 153.4
[M+CH3COO]- 240.04328 178.9
[M+Na-2H]- 202.00410 141.0
[M]+ 181.02888 137.0
[M]- 181.02998 137.0
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

No patent data available for this compound.