CID 121351026

1337209-17-2

Structural Information

Molecular Formula
C8H9ClN2
SMILES
C1CC2=C(C=CN=C2C1N)Cl
InChI
InChI=1S/C8H9ClN2/c9-6-3-4-11-8-5(6)1-2-7(8)10/h3-4,7H,1-2,10H2
InChIKey
CXJFOTJBVXZOOC-UHFFFAOYSA-N
Compound name
4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

168.04543 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.052706 133.1
[M+Na]+ 191.034648 143.1
[M-H]- 167.038154 136.0
[M+NH4]+ 186.079253 155.8
[M+K]+ 207.008588 138.6
[M+H-H2O]+ 151.042690 127.7
[M+HCOO]- 213.043631 151.6
[M+CH3COO]- 227.059281 147.0
[M+Na-2H]- 189.020096 138.8
[M]+ 168.04488142 132.2
[M]- 168.04597858 132.2
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