CID 274831

Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C14H17NO3
SMILES
CCOC(=O)C1CN(CC1=O)CC2=CC=CC=C2
InChI
InChI=1S/C14H17NO3/c1-2-18-14(17)12-9-15(10-13(12)16)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChIKey
XLKXIFXOWMGWNT-UHFFFAOYSA-N
Compound name
ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

247.12085 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 156.3
[M+Na]+ 270.11007 162.7
[M-H]- 246.11357 161.3
[M+NH4]+ 265.15467 173.8
[M+K]+ 286.08401 160.3
[M+H-H2O]+ 230.11811 148.7
[M+HCOO]- 292.11905 177.3
[M+CH3COO]- 306.13470 192.1
[M+Na-2H]- 268.09552 157.3
[M]+ 247.12030 156.7
[M]- 247.12140 156.7
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

patents stripe