CID 46199

63990-82-9

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC(=O)C1=CC(=CC=C1)OCC(CN2CCOCC2)O
InChI
InChI=1S/C15H21NO4/c1-12(17)13-3-2-4-15(9-13)20-11-14(18)10-16-5-7-19-8-6-16/h2-4,9,14,18H,5-8,10-11H2,1H3
InChIKey
YCYZCHCSBKTMDT-UHFFFAOYSA-N
Compound name
1-[3-(2-hydroxy-3-morpholin-4-ylpropoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

279.14706 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 165.4
[M+Na]+ 302.13628 168.5
[M-H]- 278.13978 168.7
[M+NH4]+ 297.18088 177.2
[M+K]+ 318.11022 167.6
[M+H-H2O]+ 262.14432 156.9
[M+HCOO]- 324.14526 180.4
[M+CH3COO]- 338.16091 196.5
[M+Na-2H]- 300.12173 167.3
[M]+ 279.14651 164.0
[M]- 279.14761 164.0
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.