CID 6446032

Brn 0529492

Structural Information

Molecular Formula
C15H19NO2
SMILES
C/C(=C\C1=CC=CC=C1)/CC(=O)N2CCOCC2
InChI
InChI=1S/C15H19NO2/c1-13(11-14-5-3-2-4-6-14)12-15(17)16-7-9-18-10-8-16/h2-6,11H,7-10,12H2,1H3/b13-11+
InChIKey
BPNYZCJYLTULPB-ACCUITESSA-N
Compound name
(E)-3-methyl-1-morpholin-4-yl-4-phenylbut-3-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.148866 158.7
[M+Na]+ 268.130808 162.0
[M-H]- 244.134314 163.1
[M+NH4]+ 263.175413 172.5
[M+K]+ 284.104748 160.1
[M+H-H2O]+ 228.138850 150.2
[M+HCOO]- 290.139791 175.0
[M+CH3COO]- 304.155441 191.5
[M+Na-2H]- 266.116256 161.6
[M]+ 245.14104142 154.9
[M]- 245.14213858 154.9
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.