CID 46199

Brn 0997334

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]+ 280.154336 165.4
[M+Na]+ 302.136278 168.5
[M-H]- 278.139784 168.7
[M+NH4]+ 297.180883 177.2
[M+K]+ 318.110218 167.6
[M+H-H2O]+ 262.144320 156.9
[M+HCOO]- 324.145261 180.4
[M+CH3COO]- 338.160911 196.5
[M+Na-2H]- 300.121726 167.3
[M]+ 279.14651142 164.0
[M]- 279.14760858 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.