CID 220838

Morpholino(4-nitrophenyl)methanone

Structural Information

Molecular Formula
C11H12N2O4
SMILES
C1COCCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H12N2O4/c14-11(12-5-7-17-8-6-12)9-1-3-10(4-2-9)13(15)16/h1-4H,5-8H2
InChIKey
VGGZQWDRWOXJTA-UHFFFAOYSA-N
Compound name
morpholin-4-yl-(4-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

94
Patents

236.07971 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.086986 149.8
[M+Na]+ 259.068928 154.0
[M-H]- 235.072434 155.2
[M+NH4]+ 254.113533 163.2
[M+K]+ 275.042868 149.5
[M+H-H2O]+ 219.076970 146.2
[M+HCOO]- 281.077911 169.4
[M+CH3COO]- 295.093561 182.7
[M+Na-2H]- 257.054376 156.8
[M]+ 236.07916142 145.3
[M]- 236.08025858 145.3
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