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]+ 296.18562 172.3
[M+Na]+ 318.16756 175.4
[M-H]- 294.17106 176.6
[M+NH4]+ 313.21216 185.3
[M+K]+ 334.14150 176.5
[M+H-H2O]+ 278.17560 164.4
[M+HCOO]- 340.17654 189.4
[M+CH3COO]- 354.19219 206.8
[M+Na-2H]- 316.15301 176.8
[M]+ 295.17779 175.9
[M]- 295.17889 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.