CID 6446796

Brn 5292820

Structural Information

Molecular Formula
C16H19NO4
SMILES
CC(C(=O)/C=C/C1=CC2=C(C=C1)OCO2)N3CCOCC3
InChI
InChI=1S/C16H19NO4/c1-12(17-6-8-19-9-7-17)14(18)4-2-13-3-5-15-16(10-13)21-11-20-15/h2-5,10,12H,6-9,11H2,1H3/b4-2+
InChIKey
PEZYCCCKCWUHOW-DUXPYHPUSA-N
Compound name
(E)-1-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1314 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13868 167.0
[M+Na]+ 312.12062 177.5
[M+NH4]+ 307.16522 173.8
[M+K]+ 328.09456 174.9
[M-H]- 288.12412 172.7
[M+Na-2H]- 310.10607 169.1
[M]+ 289.13085 169.9
[M]- 289.13195 169.9
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.