CID 461166

Ethyl 3-(4-fluorophenyl)-6,7-dihydro-5h-pyrrolizine-2-carboxylate

Structural Information

Molecular Formula
C16H16FNO2
SMILES
CCOC(=O)C1=C(N2CCCC2=C1)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H16FNO2/c1-2-20-16(19)14-10-13-4-3-9-18(13)15(14)11-5-7-12(17)8-6-11/h5-8,10H,2-4,9H2,1H3
InChIKey
IFFJHIWKJCVDFT-UHFFFAOYSA-N
Compound name
ethyl 3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolizine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.11652 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12380 162.4
[M+Na]+ 296.10574 171.0
[M-H]- 272.10924 168.0
[M+NH4]+ 291.15034 182.1
[M+K]+ 312.07968 167.1
[M+H-H2O]+ 256.11378 154.7
[M+HCOO]- 318.11472 183.4
[M+CH3COO]- 332.13037 198.1
[M+Na-2H]- 294.09119 162.1
[M]+ 273.11597 163.3
[M]- 273.11707 163.3
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

No patent data available for this compound.