CID 85576667

5-(2-furanyl)-1,2,3,4,5,6-hexahydro-7h-cyclopenta[b]pyridin-7-one

Structural Information

Molecular Formula
C12H13NO2
SMILES
C1CC2=C(C(=O)CC2C3=CC=CO3)NC1
InChI
InChI=1S/C12H13NO2/c14-10-7-9(11-4-2-6-15-11)8-3-1-5-13-12(8)10/h2,4,6,9,13H,1,3,5,7H2
InChIKey
ORZSZFCROJSVII-UHFFFAOYSA-N
Compound name
5-(furan-2-yl)-1,2,3,4,5,6-hexahydrocyclopenta[b]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

203.09464 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.101916 143.4
[M+Na]+ 226.083858 150.8
[M-H]- 202.087364 148.9
[M+NH4]+ 221.128463 163.5
[M+K]+ 242.057798 148.1
[M+H-H2O]+ 186.091900 137.5
[M+HCOO]- 248.092841 162.4
[M+CH3COO]- 262.108491 156.2
[M+Na-2H]- 224.069306 146.0
[M]+ 203.09409142 140.1
[M]- 203.09518858 140.1
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