CID 11447375

4-(4-nitrophenyl)morpholin-3-one

Structural Information

Molecular Formula
C10H10N2O4
SMILES
C1COCC(=O)N1C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O4/c13-10-7-16-6-5-11(10)8-1-3-9(4-2-8)12(14)15/h1-4H,5-7H2
InChIKey
OWMGEFWSGOTGAU-UHFFFAOYSA-N
Compound name
4-(4-nitrophenyl)morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

320
Patents

222.06406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07134 144.5
[M+Na]+ 245.05328 157.9
[M+NH4]+ 240.09788 152.0
[M+K]+ 261.02722 155.2
[M-H]- 221.05678 149.9
[M+Na-2H]- 243.03873 150.9
[M]+ 222.06351 147.7
[M]- 222.06461 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe