CID 3058736

Romifenone

Structural Information

Molecular Formula
C13H17NO3
SMILES
C1COCCN1CCC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C13H17NO3/c15-12-4-2-1-3-11(12)13(16)5-6-14-7-9-17-10-8-14/h1-4,15H,5-10H2
InChIKey
IFCMPBPUODFUNU-UHFFFAOYSA-N
Compound name
1-(2-hydroxyphenyl)-3-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

235.12085 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.128126 153.5
[M+Na]+ 258.110068 157.9
[M-H]- 234.113574 157.1
[M+NH4]+ 253.154673 167.2
[M+K]+ 274.084008 156.3
[M+H-H2O]+ 218.118110 145.4
[M+HCOO]- 280.119051 170.0
[M+CH3COO]- 294.134701 187.5
[M+Na-2H]- 256.095516 157.5
[M]+ 235.12030142 150.5
[M]- 235.12139858 150.5
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.