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: 6
Patents: 264.111 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.11828	157.7
[M+Na]+	287.10022	169.7
[M+NH4]+	282.14482	164.5
[M+K]+	303.07416	167.0
[M-H]-	263.10372	162.7
[M+Na-2H]-	285.08567	163.2
[M]+	264.11045	160.5
[M]-	264.11155	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe