CID 691098

4-(1-oxo-3-phenylallyl)morpholine

Structural Information

Molecular Formula
C13H15NO2
SMILES
C1COCCN1C(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C13H15NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h1-7H,8-11H2/b7-6+
InChIKey
AXICCPYRMWRPMS-VOTSOKGWSA-N
Compound name
(E)-1-morpholin-4-yl-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

41
Patents

217.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.117556 149.3
[M+Na]+ 240.099498 153.8
[M-H]- 216.103004 154.1
[M+NH4]+ 235.144103 164.4
[M+K]+ 256.073438 152.0
[M+H-H2O]+ 200.107540 141.1
[M+HCOO]- 262.108481 167.4
[M+CH3COO]- 276.124131 184.6
[M+Na-2H]- 238.084946 154.5
[M]+ 217.10973142 145.5
[M]- 217.11082858 145.5
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

patents stripe