CID 26144

13627-82-2

Structural Information

Molecular Formula
C16H25NO4
SMILES
CN(CCCCOC)CC(C1COC2=CC=CC=C2O1)O
InChI
InChI=1S/C16H25NO4/c1-17(9-5-6-10-19-2)11-13(18)16-12-20-14-7-3-4-8-15(14)21-16/h3-4,7-8,13,16,18H,5-6,9-12H2,1-2H3
InChIKey
HBARXCFXLPAYCK-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-[4-methoxybutyl(methyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.17834 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.185616 172.3
[M+Na]+ 318.167558 175.4
[M-H]- 294.171064 176.6
[M+NH4]+ 313.212163 185.3
[M+K]+ 334.141498 176.5
[M+H-H2O]+ 278.175600 164.4
[M+HCOO]- 340.176541 189.4
[M+CH3COO]- 354.192191 206.8
[M+Na-2H]- 316.153006 176.8
[M]+ 295.17779142 175.9
[M]- 295.17888858 175.9
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.