CID 50645

2-(1-morpholinoethyl)-1,4-benzodioxane

Structural Information

Molecular Formula
C14H19NO3
SMILES
CC(C1COC2=CC=CC=C2O1)N3CCOCC3
InChI
InChI=1S/C14H19NO3/c1-11(15-6-8-16-9-7-15)14-10-17-12-4-2-3-5-13(12)18-14/h2-5,11,14H,6-10H2,1H3
InChIKey
HTGYYXDALADZAT-UHFFFAOYSA-N
Compound name
4-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13649 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 157.8
[M+Na]+ 272.12571 170.6
[M+NH4]+ 267.17031 166.4
[M+K]+ 288.09965 165.0
[M-H]- 248.12921 165.6
[M+Na-2H]- 270.11116 162.4
[M]+ 249.13594 161.9
[M]- 249.13704 161.9
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.