CID 205930

3-ethyl-3-(4-nitrophenyl)azetidin-2-one

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CCC1(CNC1=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H12N2O3/c1-2-11(7-12-10(11)14)8-3-5-9(6-4-8)13(15)16/h3-6H,2,7H2,1H3,(H,12,14)
InChIKey
MASZTUYKDGLQNB-UHFFFAOYSA-N
Compound name
3-ethyl-3-(4-nitrophenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 147.2
[M+Na]+ 243.07402 155.2
[M+NH4]+ 238.11862 151.7
[M+K]+ 259.04796 152.3
[M-H]- 219.07752 147.5
[M+Na-2H]- 241.05947 152.0
[M]+ 220.08425 147.1
[M]- 220.08535 147.1
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

No patent data available for this compound.