CID 45098665

692729-88-7

Structural Information

Molecular Formula
C11H13NO2
SMILES
CCOC(=O)C1=NC=CC2=C1CCC2
InChI
InChI=1S/C11H13NO2/c1-2-14-11(13)10-9-5-3-4-8(9)6-7-12-10/h6-7H,2-5H2,1H3
InChIKey
ZZINBZIOGWSKNS-UHFFFAOYSA-N
Compound name
ethyl 6,7-dihydro-5H-cyclopenta[c]pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

191.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.3
[M+Na]+ 214.08386 149.1
[M-H]- 190.08736 144.3
[M+NH4]+ 209.12846 162.4
[M+K]+ 230.05780 147.1
[M+H-H2O]+ 174.09190 134.9
[M+HCOO]- 236.09284 162.8
[M+CH3COO]- 250.10849 182.2
[M+Na-2H]- 212.06931 146.1
[M]+ 191.09409 142.3
[M]- 191.09519 142.3
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