CID 13153316

6,7-dihydro-5h-cyclopenta[b]pyridin-7-yl acetate

Structural Information

Molecular Formula
C10H11NO2
SMILES
CC(=O)OC1CCC2=C1N=CC=C2
InChI
InChI=1S/C10H11NO2/c1-7(12)13-9-5-4-8-3-2-6-11-10(8)9/h2-3,6,9H,4-5H2,1H3
InChIKey
OBVUPALDLPJGQG-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

177.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 137.0
[M+Na]+ 200.06820 148.7
[M+NH4]+ 195.11280 145.7
[M+K]+ 216.04214 144.5
[M-H]- 176.07170 138.1
[M+Na-2H]- 198.05365 142.1
[M]+ 177.07843 138.8
[M]- 177.07953 138.8
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