CID 3077934

5-ethoxy-1-(4-nitrobenzoyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C13H14N2O5
SMILES
CCOC1CCC(=O)N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H14N2O5/c1-2-20-12-8-7-11(16)14(12)13(17)9-3-5-10(6-4-9)15(18)19/h3-6,12H,2,7-8H2,1H3
InChIKey
VIYNOMFQVLFKHD-UHFFFAOYSA-N
Compound name
5-ethoxy-1-(4-nitrobenzoyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

278.09027 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09755 161.0
[M+Na]+ 301.07949 166.9
[M-H]- 277.08299 166.6
[M+NH4]+ 296.12409 176.3
[M+K]+ 317.05343 161.1
[M+H-H2O]+ 261.08753 158.1
[M+HCOO]- 323.08847 183.3
[M+CH3COO]- 337.10412 191.5
[M+Na-2H]- 299.06494 163.9
[M]+ 278.08972 160.0
[M]- 278.09082 160.0
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