CID 200303

Nsc 12476

Structural Information

Molecular Formula
C13H16N2O4
SMILES
C1COCCN1CCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H16N2O4/c16-13(5-6-14-7-9-19-10-8-14)11-1-3-12(4-2-11)15(17)18/h1-4H,5-10H2
InChIKey
MXKMKEKSGBGJGK-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-1-(4-nitrophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

264.111 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.118276 159.2
[M+Na]+ 287.100218 162.4
[M-H]- 263.103724 164.1
[M+NH4]+ 282.144823 171.4
[M+K]+ 303.074158 157.4
[M+H-H2O]+ 247.108260 155.1
[M+HCOO]- 309.109201 178.1
[M+CH3COO]- 323.124851 189.4
[M+Na-2H]- 285.085666 165.1
[M]+ 264.11045142 155.4
[M]- 264.11154858 155.4
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

patents stripe