CID 671267

N-(3-acetylphenyl)morpholine-4-carboxamide

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CC(=O)C1=CC(=CC=C1)NC(=O)N2CCOCC2
InChI
InChI=1S/C13H16N2O3/c1-10(16)11-3-2-4-12(9-11)14-13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,17)
InChIKey
GFGGXIIHWJXKMZ-UHFFFAOYSA-N
Compound name
N-(3-acetylphenyl)morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

248.11609 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.123366 156.7
[M+Na]+ 271.105308 160.8
[M-H]- 247.108814 161.8
[M+NH4]+ 266.149913 170.2
[M+K]+ 287.079248 160.0
[M+H-H2O]+ 231.113350 148.2
[M+HCOO]- 293.114291 174.9
[M+CH3COO]- 307.129941 193.8
[M+Na-2H]- 269.090756 160.4
[M]+ 248.11554142 153.4
[M]- 248.11663858 153.4
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

No patent data available for this compound.