CID 11447375

4-(4-nitrophenyl)-3-morpholinone

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
2
Annotation Hits

0
References

362
Patents

222.06406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.071336 145.2
[M+Na]+ 245.053278 150.9
[M-H]- 221.056784 151.0
[M+NH4]+ 240.097883 159.5
[M+K]+ 261.027218 146.1
[M+H-H2O]+ 205.061320 141.8
[M+HCOO]- 267.062261 166.1
[M+CH3COO]- 281.077911 180.7
[M+Na-2H]- 243.038726 153.2
[M]+ 222.06351142 141.4
[M]- 222.06460858 141.4
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