CID 3077931

1-benzoyl-5-ethoxypyrrolidin-2-one

Structural Information

Molecular Formula
C13H15NO3
SMILES
CCOC1CCC(=O)N1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H15NO3/c1-2-17-12-9-8-11(15)14(12)13(16)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKey
MEBTVDLEAJRUDF-UHFFFAOYSA-N
Compound name
1-benzoyl-5-ethoxypyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

233.1052 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.112476 151.6
[M+Na]+ 256.094418 158.6
[M-H]- 232.097924 156.9
[M+NH4]+ 251.139023 169.8
[M+K]+ 272.068358 156.3
[M+H-H2O]+ 216.102460 144.3
[M+HCOO]- 278.103401 173.0
[M+CH3COO]- 292.119051 189.1
[M+Na-2H]- 254.079866 153.2
[M]+ 233.10465142 151.8
[M]- 233.10574858 151.8
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