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]+ 246.14887 158.7
[M+Na]+ 268.13081 162.0
[M-H]- 244.13431 163.1
[M+NH4]+ 263.17541 172.5
[M+K]+ 284.10475 160.1
[M+H-H2O]+ 228.13885 150.2
[M+HCOO]- 290.13979 175.0
[M+CH3COO]- 304.15544 191.5
[M+Na-2H]- 266.11626 161.6
[M]+ 245.14104 154.9
[M]- 245.14214 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.