CID 86127017

1-(5-ethyl-2,3-dihydro-1h-pyrrolizin-7-yl)ethanone

Structural Information

Molecular Formula
C11H15NO
SMILES
CCC1=CC(=C2N1CCC2)C(=O)C
InChI
InChI=1S/C11H15NO/c1-3-9-7-10(8(2)13)11-5-4-6-12(9)11/h7H,3-6H2,1-2H3
InChIKey
ZBWDGLUDPXAPPN-UHFFFAOYSA-N
Compound name
1-(3-ethyl-6,7-dihydro-5H-pyrrolizin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 141.0
[M+Na]+ 200.10459 149.6
[M-H]- 176.10809 144.5
[M+NH4]+ 195.14919 164.7
[M+K]+ 216.07853 147.4
[M+H-H2O]+ 160.11263 135.5
[M+HCOO]- 222.11357 162.9
[M+CH3COO]- 236.12922 182.4
[M+Na-2H]- 198.09004 142.6
[M]+ 177.11482 141.8
[M]- 177.11592 141.8
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

No patent data available for this compound.