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 172.4
[M+Na]+ 318.16756 175.0
[M-H]- 294.17106 175.3
[M+NH4]+ 313.21216 184.7
[M+K]+ 334.14150 175.3
[M+H-H2O]+ 278.17560 164.7
[M+HCOO]- 340.17654 187.9
[M+CH3COO]- 354.19219 204.4
[M+Na-2H]- 316.15301 176.5
[M]+ 295.17779 174.2
[M]- 295.17889 174.2
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.