CID 3077958

Brn 4750778

Structural Information

Molecular Formula
C14H19NO3
SMILES
CCOC1CCC(=O)N1CC2=CC=C(C=C2)OC
InChI
InChI=1S/C14H19NO3/c1-3-18-14-9-8-13(16)15(14)10-11-4-6-12(17-2)7-5-11/h4-7,14H,3,8-10H2,1-2H3
InChIKey
MFBSNWYKMJYOMX-UHFFFAOYSA-N
Compound name
5-ethoxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

249.13649 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 156.5
[M+Na]+ 272.12571 163.8
[M-H]- 248.12921 161.8
[M+NH4]+ 267.17031 174.4
[M+K]+ 288.09965 161.5
[M+H-H2O]+ 232.13375 149.0
[M+HCOO]- 294.13469 178.3
[M+CH3COO]- 308.15034 193.9
[M+Na-2H]- 270.11116 158.0
[M]+ 249.13594 158.8
[M]- 249.13704 158.8
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