CID 286120

Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate

Structural Information

Molecular Formula
C17H23NO4
SMILES
CCOC(=O)C1CCC(N1CC2=CC=CC=C2)C(=O)OCC
InChI
InChI=1S/C17H23NO4/c1-3-21-16(19)14-10-11-15(17(20)22-4-2)18(14)12-13-8-6-5-7-9-13/h5-9,14-15H,3-4,10-12H2,1-2H3
InChIKey
LDUSEIANLSWKPY-UHFFFAOYSA-N
Compound name
diethyl 1-benzylpyrrolidine-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

305.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.169996 173.1
[M+Na]+ 328.151938 177.9
[M-H]- 304.155444 177.7
[M+NH4]+ 323.196543 188.2
[M+K]+ 344.125878 175.9
[M+H-H2O]+ 288.159980 165.0
[M+HCOO]- 350.160921 192.3
[M+CH3COO]- 364.176571 203.4
[M+Na-2H]- 326.137386 171.4
[M]+ 305.16217142 175.4
[M]- 305.16326858 175.4
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