CID 86127302

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

Structural Information

Molecular Formula
C11H15NO
SMILES
CCCC(=O)C1=CC=C2N1CCC2
InChI
InChI=1S/C11H15NO/c1-2-4-11(13)10-7-6-9-5-3-8-12(9)10/h6-7H,2-5,8H2,1H3
InChIKey
UDBBNHVKMDHCPL-UHFFFAOYSA-N
Compound name
1-(6,7-dihydro-5H-pyrrolizin-3-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.11537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 140.6
[M+Na]+ 200.10459 150.5
[M+NH4]+ 195.14919 149.3
[M+K]+ 216.07853 147.9
[M-H]- 176.10809 141.3
[M+Na-2H]- 198.09004 144.0
[M]+ 177.11482 141.9
[M]- 177.11592 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.