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]+ 282.17000 166.7
[M+Na]+ 304.15194 170.1
[M-H]- 280.15544 169.8
[M+NH4]+ 299.19654 179.7
[M+K]+ 320.12588 170.0
[M+H-H2O]+ 264.15998 159.2
[M+HCOO]- 326.16092 183.7
[M+CH3COO]- 340.17657 200.5
[M+Na-2H]- 302.13739 172.7
[M]+ 281.16217 168.8
[M]- 281.16327 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.