CID 26143

13627-81-1

Structural Information

Molecular Formula
C15H23NO4
SMILES
CN(CCCOC)CC(C1COC2=CC=CC=C2O1)O
InChI
InChI=1S/C15H23NO4/c1-16(8-5-9-18-2)10-12(17)15-11-19-13-6-3-4-7-14(13)20-15/h3-4,6-7,12,15,17H,5,8-11H2,1-2H3
InChIKey
VGDWCIGIXGUYHQ-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[3-methoxypropyl(methyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.16272 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.169996 167.5
[M+Na]+ 304.151938 171.1
[M-H]- 280.155444 172.1
[M+NH4]+ 299.196543 181.1
[M+K]+ 320.125878 172.4
[M+H-H2O]+ 264.159980 159.9
[M+HCOO]- 326.160921 185.0
[M+CH3COO]- 340.176571 203.8
[M+Na-2H]- 302.137386 172.6
[M]+ 281.16217142 170.8
[M]- 281.16326858 170.8
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.