CID 212722

Brn 1225722

Structural Information

Molecular Formula
C15H21NO6
SMILES
COC1=CC(=CC(=C1OC)OC)OCC(=O)N2CCOCC2
InChI
InChI=1S/C15H21NO6/c1-18-12-8-11(9-13(19-2)15(12)20-3)22-10-14(17)16-4-6-21-7-5-16/h8-9H,4-7,10H2,1-3H3
InChIKey
SQAOLDXRUNCZCI-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-2-(3,4,5-trimethoxyphenoxy)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1369 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.144176 169.8
[M+Na]+ 334.126118 175.2
[M-H]- 310.129624 175.3
[M+NH4]+ 329.170723 181.6
[M+K]+ 350.100058 176.1
[M+H-H2O]+ 294.134160 160.9
[M+HCOO]- 356.135101 187.7
[M+CH3COO]- 370.150751 204.3
[M+Na-2H]- 332.111566 172.3
[M]+ 311.13635142 174.6
[M]- 311.13744858 174.6
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

No patent data available for this compound.