CID 258388

1-(diethylamino)-3h-pyrrolizin-3-one

Structural Information

Molecular Formula
C11H14N2O
SMILES
CCN(CC)C1=CC(=O)N2C1=CC=C2
InChI
InChI=1S/C11H14N2O/c1-3-12(4-2)10-8-11(14)13-7-5-6-9(10)13/h5-8H,3-4H2,1-2H3
InChIKey
OAPBNMOWKFMKIS-UHFFFAOYSA-N
Compound name
1-(diethylamino)pyrrolizin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11061 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 142.2
[M+Na]+ 213.09983 151.3
[M-H]- 189.10333 147.4
[M+NH4]+ 208.14443 165.9
[M+K]+ 229.07377 149.8
[M+H-H2O]+ 173.10787 136.0
[M+HCOO]- 235.10881 168.2
[M+CH3COO]- 249.12446 189.5
[M+Na-2H]- 211.08528 145.8
[M]+ 190.11006 145.7
[M]- 190.11116 145.7
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.