CID 13814299

2,5-dimethyl 1-benzylpyrrolidine-2,5-dicarboxylate

Structural Information

Molecular Formula
C15H19NO4
SMILES
COC(=O)C1CCC(N1CC2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C15H19NO4/c1-19-14(17)12-8-9-13(15(18)20-2)16(12)10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3
InChIKey
VOUOTBJQQLQSCY-UHFFFAOYSA-N
Compound name
dimethyl 1-benzylpyrrolidine-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

277.1314 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 163.8
[M+Na]+ 300.12062 169.5
[M-H]- 276.12412 168.9
[M+NH4]+ 295.16522 180.1
[M+K]+ 316.09456 168.0
[M+H-H2O]+ 260.12866 156.1
[M+HCOO]- 322.12960 183.7
[M+CH3COO]- 336.14525 197.4
[M+Na-2H]- 298.10607 163.3
[M]+ 277.13085 165.4
[M]- 277.13195 165.4
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