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

67
Patents

305.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 173.1
[M+Na]+ 328.15194 177.9
[M-H]- 304.15544 177.7
[M+NH4]+ 323.19654 188.2
[M+K]+ 344.12588 175.9
[M+H-H2O]+ 288.15998 165.0
[M+HCOO]- 350.16092 192.3
[M+CH3COO]- 364.17657 203.4
[M+Na-2H]- 326.13739 171.4
[M]+ 305.16217 175.4
[M]- 305.16327 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