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 145.2
[M+Na]+ 243.07402 150.8
[M-H]- 219.07752 149.3
[M+NH4]+ 238.11862 156.2
[M+K]+ 259.04796 147.3
[M+H-H2O]+ 203.08206 137.8
[M+HCOO]- 265.08300 165.9
[M+CH3COO]- 279.09865 183.0
[M+Na-2H]- 241.05947 152.2
[M]+ 220.08425 150.7
[M]- 220.08535 150.7
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

No patent data available for this compound.