CID 6434905

Brn 5289858

Structural Information

Molecular Formula
C15H17NO4
SMILES
C1COCCN1CC(=O)/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C15H17NO4/c17-13(10-16-5-7-18-8-6-16)3-1-12-2-4-14-15(9-12)20-11-19-14/h1-4,9H,5-8,10-11H2/b3-1+
InChIKey
YZEYXUODTOBXBK-HNQUOIGGSA-N
Compound name
(E)-4-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.11575 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 162.7
[M+Na]+ 298.10497 167.4
[M-H]- 274.10847 169.4
[M+NH4]+ 293.14957 175.4
[M+K]+ 314.07891 167.7
[M+H-H2O]+ 258.11301 155.3
[M+HCOO]- 320.11395 177.5
[M+CH3COO]- 334.12960 173.4
[M+Na-2H]- 296.09042 166.5
[M]+ 275.11520 162.2
[M]- 275.11630 162.2
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

patents stripe