CID 15248

1553-32-8

Structural Information

Molecular Formula
C15H23NO4
SMILES
COCCCCNCC(C1COC2=CC=CC=C2O1)O
InChI
InChI=1S/C15H23NO4/c1-18-9-5-4-8-16-10-12(17)15-11-19-13-6-2-3-7-14(13)20-15/h2-3,6-7,12,15-17H,4-5,8-11H2,1H3
InChIKey
PYDDRMPHFXYXRW-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-methoxybutylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.16272 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.169996 166.7
[M+Na]+ 304.151938 170.1
[M-H]- 280.155444 169.8
[M+NH4]+ 299.196543 179.7
[M+K]+ 320.125878 170.0
[M+H-H2O]+ 264.159980 159.2
[M+HCOO]- 326.160921 183.7
[M+CH3COO]- 340.176571 200.5
[M+Na-2H]- 302.137386 172.7
[M]+ 281.16217142 168.8
[M]- 281.16326858 168.8
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

No patent data available for this compound.