CID 682145

4-(3-(1,3-benzodioxol-5-yl)-1-oxo-2-propenyl)morpholine

Structural Information

Molecular Formula
C14H15NO4
SMILES
C1COCCN1C(=O)/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C14H15NO4/c16-14(15-5-7-17-8-6-15)4-2-11-1-3-12-13(9-11)19-10-18-12/h1-4,9H,5-8,10H2/b4-2+
InChIKey
YGGASQPEKIGCKJ-DUXPYHPUSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

7
Patents

261.1001 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 158.2
[M+Na]+ 284.08932 163.5
[M-H]- 260.09282 165.2
[M+NH4]+ 279.13392 171.6
[M+K]+ 300.06326 164.0
[M+H-H2O]+ 244.09736 151.0
[M+HCOO]- 306.09830 173.4
[M+CH3COO]- 320.11395 169.4
[M+Na-2H]- 282.07477 162.6
[M]+ 261.09955 157.3
[M]- 261.10065 157.3
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