CID 104658

4-(2,4-dimethoxybenzoyl)morpholine

Structural Information

Molecular Formula
C13H17NO4
SMILES
COC1=CC(=C(C=C1)C(=O)N2CCOCC2)OC
InChI
InChI=1S/C13H17NO4/c1-16-10-3-4-11(12(9-10)17-2)13(15)14-5-7-18-8-6-14/h3-4,9H,5-8H2,1-2H3
InChIKey
XQZNKJRFTGYVDR-UHFFFAOYSA-N
Compound name
(2,4-dimethoxyphenyl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

251.11575 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.123026 155.8
[M+Na]+ 274.104968 161.5
[M-H]- 250.108474 161.3
[M+NH4]+ 269.149573 169.9
[M+K]+ 290.078908 161.5
[M+H-H2O]+ 234.113010 147.5
[M+HCOO]- 296.113951 174.0
[M+CH3COO]- 310.129601 192.7
[M+Na-2H]- 272.090416 159.7
[M]+ 251.11520142 156.5
[M]- 251.11629858 156.5
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