CID 86127012

1-(2,3-dihydro-1h-pyrrolizin-5-yl)-1,4-pentanedione

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC(=O)CCC(=O)C1=CC=C2N1CCC2
InChI
InChI=1S/C12H15NO2/c1-9(14)4-7-12(15)11-6-5-10-3-2-8-13(10)11/h5-6H,2-4,7-8H2,1H3
InChIKey
BDWPPPWPSZSWII-UHFFFAOYSA-N
Compound name
1-(6,7-dihydro-5H-pyrrolizin-3-yl)pentane-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

205.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 147.5
[M+Na]+ 228.09950 156.4
[M+NH4]+ 223.14410 155.1
[M+K]+ 244.07344 154.8
[M-H]- 204.10300 147.2
[M+Na-2H]- 226.08495 149.8
[M]+ 205.10973 148.3
[M]- 205.11083 148.3
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