CID 26145

13627-85-5

Structural Information

Molecular Formula
C16H25NO4
SMILES
CC(C(C1COC2=CC=CC=C2O1)O)NCCCCOC
InChI
InChI=1S/C16H25NO4/c1-12(17-9-5-6-10-19-2)16(18)15-11-20-13-7-3-4-8-14(13)21-15/h3-4,7-8,12,15-18H,5-6,9-11H2,1-2H3
InChIKey
OQIJNHLQXXIUMQ-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-methoxybutylamino)propan-1-ol
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 171.6
[M+Na]+ 318.16756 180.9
[M+NH4]+ 313.21216 178.1
[M+K]+ 334.14150 176.1
[M-H]- 294.17106 175.5
[M+Na-2H]- 316.15301 173.4
[M]+ 295.17779 173.8
[M]- 295.17889 173.8
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.