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

102
Patents

247.12085 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.128126 156.3
[M+Na]+ 270.110068 162.7
[M-H]- 246.113574 161.3
[M+NH4]+ 265.154673 173.8
[M+K]+ 286.084008 160.3
[M+H-H2O]+ 230.118110 148.7
[M+HCOO]- 292.119051 177.3
[M+CH3COO]- 306.134701 192.1
[M+Na-2H]- 268.095516 157.3
[M]+ 247.12030142 156.7
[M]- 247.12139858 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